Propyl coenzyme A
TL;DR: Propyl coenzyme A (CAS 70019-69-1) is a chemical compound with molecular formula C24H42N7O16P3S and molecular weight 809.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[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-propan-2-ylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
Also Known As: Propyl coenzyme A, S-Propyl-CoA, Coenzyme A, S-propyl-, S-propyl-CoA; (Acyl-CoA); [M+H]+;, [[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-propan-2-ylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
| Molecular Formula | C24H42N7O16P3S |
|---|---|
| Molecular Weight | 809.16 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 372.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Exact Mass | 809.1622 |
| Heavy Atoms | 51 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 70019-69-1 |
|---|---|
| SMILES | CC(C)SCCNC(=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 | QOSXFJDDUVQOJB-UHFFFAOYSA-N |
Product Overview
Propyl coenzyme A (CAS 70019-69-1), with molecular formula C24H42N7O16P3S and molecular weight 809.16 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-propan-2-ylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate.
Chemical Property Profile of Propyl coenzyme A
Property Insights of Propyl coenzyme A
The XLogP value of -4.6 indicates that Propyl coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting Propyl coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propyl coenzyme A 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 Propyl coenzyme A?
The CAS number of Propyl coenzyme A is 70019-69-1.
What is the molecular formula of Propyl coenzyme A?
The molecular formula of Propyl coenzyme A is C24H42N7O16P3S.
What is the molecular weight of Propyl coenzyme A?
The molecular weight of Propyl coenzyme A is 809.16 g/mol.
Where can I buy Propyl coenzyme A?
You can request a quote for Propyl coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Propyl coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.