4-Chlorobenzoyl-CoA
TL;DR: 4-Chlorobenzoyl-CoA (CAS 117380-98-0) is a chemical compound with molecular formula C28H39ClN7O17P3S and molecular weight 905.10 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,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-chlorobenzenecarbothioate
Also Known As: 4-Chlorobenzoyl-CoA, 4-Cba-coa, 4-Chlorobenzoyl coa, 4-Chlorobenzoyl coenzyme A, (4-Chlorobenzoyl)-CoA
| Molecular Formula | C28H39ClN7O17P3S |
|---|---|
| Molecular Weight | 905.10 g/mol |
| LogP | 0.6319 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 905.1025 |
| Heavy Atoms | 57 |
| Complexity | 2058.8147 |
Chemical Identifiers
| CAS Number | 117380-98-0 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)Cl)O |
Product Overview
4-Chlorobenzoyl-CoA (CAS 117380-98-0), with molecular formula C28H39ClN7O17P3S and molecular weight 905.10 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-chlorobenzenecarbothioate.
Chemical Property Profile of 4-Chlorobenzoyl-CoA
Property Insights of 4-Chlorobenzoyl-CoA
The XLogP value of 0.6319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzoyl-CoA. The TPSA of 363.63 Ų indicates high polarity, suggesting 4-Chlorobenzoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Chlorobenzoyl-CoA 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 4-Chlorobenzoyl-CoA?
The CAS number of 4-Chlorobenzoyl-CoA is 117380-98-0.
What is the molecular formula of 4-Chlorobenzoyl-CoA?
The molecular formula of 4-Chlorobenzoyl-CoA is C28H39ClN7O17P3S.
What is the molecular weight of 4-Chlorobenzoyl-CoA?
The molecular weight of 4-Chlorobenzoyl-CoA is 905.10 g/mol.
Where can I buy 4-Chlorobenzoyl-CoA?
You can request a quote for 4-Chlorobenzoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.