脱硫辅酶A
TL;DR: 脱硫辅酶A (CAS 5863-40-1) is a chemical compound with molecular formula C21H36N7O16P3 and molecular weight 735.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱硫辅酶A
[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
Also Known As: desulfo-coenzyme a, Desulfo-coa, Dethiocoenzyme A, Coenzyme A, desulfo, Desulfocoenzyme A lithium salt
| Molecular Formula | C21H36N7O16P3 |
|---|---|
| Molecular Weight | 735.14 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Exact Mass | 735.1431 |
| Heavy Atoms | 47 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 5863-40-1 |
|---|---|
| SMILES | CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | ILWZMFJBPIYQKW-UHFFFAOYSA-N |
Product Overview
脱硫辅酶A (CAS 5863-40-1), with molecular formula C21H36N7O16P3 and molecular weight 735.14 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate.
Chemical Property Profile of 脱硫辅酶A
Property Insights of 脱硫辅酶A
The XLogP value of -5.7 indicates that 脱硫辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting 脱硫辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, desulfo-coenzyme a has 9 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of desulfo-coenzyme a?
The CAS number of desulfo-coenzyme a is 5863-40-1.
What is the molecular formula of desulfo-coenzyme a?
The molecular formula of desulfo-coenzyme a is C21H36N7O16P3.
What is the molecular weight of desulfo-coenzyme a?
The molecular weight of desulfo-coenzyme a is 735.14 g/mol.
Where can I buy desulfo-coenzyme a?
You can request a quote for desulfo-coenzyme a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for desulfo-coenzyme a?
Yes, KEHONG BIO provides custom synthesis services for desulfo-coenzyme a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.