辅酶A
TL;DR: 辅酶A (CAS 85-61-0) is a chemical compound with molecular formula C21H36N7O16P3S and molecular weight 767.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辅酶A
[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
Also Known As: coenzyme A, Zeel, Coenzyme A hydrate, Depot-Zeel, Reduced CoA
| Molecular Formula | C21H36N7O16P3S |
|---|---|
| Molecular Weight | 767.12 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 348.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Exact Mass | 767.11523 |
| Heavy Atoms | 48 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 85-61-0 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O |
| InChIKey | RGJOEKWQDUBAIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辅酶A (CAS 85-61-0), with molecular formula C21H36N7O16P3S and molecular weight 767.12 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate.
Chemical Property Profile of 辅酶A
Property Insights of 辅酶A
The XLogP value of -5.8 indicates that 辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting 辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 辅酶A has 10 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 辅酶A?
The CAS number of 辅酶A is 85-61-0.
What is the molecular formula of 辅酶A?
The molecular formula of 辅酶A is C21H36N7O16P3S.
What is the molecular weight of 辅酶A?
The molecular weight of 辅酶A is 767.12 g/mol.
Where can I buy 辅酶A?
You can request a quote for 辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.