benzoyl-coenzyme A
TL;DR: benzoyl-coenzyme A (CAS 6756-74-7) is a chemical compound with molecular formula C28H40N7O17P3S and molecular weight 871.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate
Also Known As: benzoyl-coenzyme A, Benzoyl-coa, Benzoyl CoA, Coenzyme A, benzoyl-, Benzoyl Coenzyme A
| Molecular Formula | C28H40N7O17P3S |
|---|---|
| Molecular Weight | 871.14 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 871.1414 |
| Heavy Atoms | 56 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 6756-74-7 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O |
| InChIKey | VEVJTUNLALKRNO-VNTTVOJBSA-N |
Product Overview
benzoyl-coenzyme A (CAS 6756-74-7), with molecular formula C28H40N7O17P3S and molecular weight 871.14 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate.
Chemical Property Profile of benzoyl-coenzyme A
Property Insights of benzoyl-coenzyme A
The XLogP value of -4.0 indicates that benzoyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting benzoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzoyl-coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzoyl-coenzyme A?
The CAS number of benzoyl-coenzyme A is 6756-74-7.
What is the molecular formula of benzoyl-coenzyme A?
The molecular formula of benzoyl-coenzyme A is C28H40N7O17P3S.
What is the molecular weight of benzoyl-coenzyme A?
The molecular weight of benzoyl-coenzyme A is 871.14 g/mol.
Where can I buy benzoyl-coenzyme A?
You can request a quote for benzoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for benzoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.