
BDP 581/591 carboxylic acid | CAS 480999-04-0
Catalog Number | F01-0236 |
Category | BODIPY |
Molecular Formula | C22H19BF2N2O2 |
Molecular Weight | 392.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BDP 581/591 carboxylic acid is a BDP linker containing a carboxylic acid. The BDP 581/591 is very photostable. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.
Chemical Information
Product Specification
Computed Properties
Purity | 95% |
IUPAC Name | 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoic acid |
Canonical SMILES | [B-]1(N2C(=CC=C2CCC(=O)O)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F |
InChI | InChI=1S/C22H19BF2N2O2/c24-23(25)26-18(9-5-4-8-17-6-2-1-3-7-17)10-12-20(26)16-21-13-11-19(27(21)23)14-15-22(28)29/h1-13,16H,14-15H2,(H,28,29)/b8-4+,9-5+ |
InChIKey | BNURWCMGIJOEAC-KBXRYBNXSA-N |
Solubility | DMF, DMSO, DCM |
Excitation | 585 |
Emission | 594 |
Storage | -20 °C |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Exact Mass | 392.1507643 g/mol |
Monoisotopic Mass | 392.1507643 g/mol |
Topological Polar Surface Area | 45.2Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 810 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
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