8-Bdb-tnad
TL;DR: 8-Bdb-tnad (CAS 19060-75-4) is a chemical compound with molecular formula C27H36BrN6O16P2S+ and molecular weight 873.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R)-5-[(7S)-4-amino-6-(4-bromo-2,3-dioxobutyl)sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide
Also Known As: 8-Bdb-tnad, 8-(4-Bromo-2,3-dioxobutylthio)NAD, KST-1A2350, 8-(4-Bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide, [(2r,3s,4r)-5-[(7s)-4-amino-6-(4-bromo-2,3-dioxo-butyl)sulfanyl-7h-pyrrolo[5,4-e]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; 1-[(3r,4s,5r)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide
| Molecular Formula | C27H36BrN6O16P2S+ |
|---|---|
| Molecular Weight | 873.06 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 383.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 873.0567 |
| Heavy Atoms | 53 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 19060-75-4 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([C@H](C(O1)[N+]2=CC=CC(=C2)C(=O)N)O)O.C1=NC2=C(C(=N1)N)N=C([C@@H]2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)SCC(=O)C(=O)CBr |
| InChIKey | XUUGVPBJGOABMI-BDYRSLACSA-O |
Product Overview
8-Bdb-tnad (CAS 19060-75-4), with molecular formula C27H36BrN6O16P2S+ and molecular weight 873.06 g/mol. IUPAC: [(2R,3S,4R)-5-[(7S)-4-amino-6-(4-bromo-2,3-dioxobutyl)sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide.
Chemical Property Profile of 8-Bdb-tnad
Property Insights of 8-Bdb-tnad
The XLogP value of -1.73 indicates that 8-Bdb-tnad is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 383.0 Ų indicates high polarity, suggesting 8-Bdb-tnad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Bdb-tnad has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Bdb-tnad?
The CAS number of 8-Bdb-tnad is 19060-75-4.
What is the molecular formula of 8-Bdb-tnad?
The molecular formula of 8-Bdb-tnad is C27H36BrN6O16P2S+.
What is the molecular weight of 8-Bdb-tnad?
The molecular weight of 8-Bdb-tnad is 873.06 g/mol.
Where can I buy 8-Bdb-tnad?
You can request a quote for 8-Bdb-tnad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bdb-tnad?
Yes, KEHONG BIO provides custom synthesis services for 8-Bdb-tnad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.