chloroacetyl coenzyme A
TL;DR: chloroacetyl coenzyme A (CAS 34201-15-5) is a chemical compound with molecular formula C23H37ClN7O17P3S and molecular weight 843.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-chloroethanethioate
Also Known As: Chloroacetyl coa, Chloroacetyl coenzyme A, Coenzyme A, chloroacetyl, S-(Chloroacetate)-CoA, Coenzyme A,S-(chloroacetate)
| Molecular Formula | C23H37ClN7O17P3S |
|---|---|
| Molecular Weight | 843.09 g/mol |
| LogP | -1.0965 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 843.0868 |
| Heavy Atoms | 52 |
| Complexity | 1733.9226 |
Chemical Identifiers
| CAS Number | 34201-15-5 |
|---|---|
| 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)NCCSC(=O)CCl)O |
Product Overview
chloroacetyl coenzyme A (CAS 34201-15-5), with molecular formula C23H37ClN7O17P3S and molecular weight 843.09 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-chloroethanethioate.
Chemical Property Profile of chloroacetyl coenzyme A
Property Insights of chloroacetyl coenzyme A
The XLogP value of -1.0965 indicates that chloroacetyl coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 363.63 Ų indicates high polarity, suggesting chloroacetyl coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, chloroacetyl coenzyme A has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of chloroacetyl coenzyme A?
The CAS number of chloroacetyl coenzyme A is 34201-15-5.
What is the molecular formula of chloroacetyl coenzyme A?
The molecular formula of chloroacetyl coenzyme A is C23H37ClN7O17P3S.
What is the molecular weight of chloroacetyl coenzyme A?
The molecular weight of chloroacetyl coenzyme A is 843.09 g/mol.
Where can I buy chloroacetyl coenzyme A?
You can request a quote for chloroacetyl coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloroacetyl coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for chloroacetyl coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.