氯贝酸-辅酶A
TL;DR: 氯贝酸-辅酶A (CAS 104732-21-0) is a chemical compound with molecular formula C31H45ClN7O18P3S and molecular weight 963.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯贝酸-辅酶A
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] 2-(4-chlorophenoxy)-2-methylpropanethioate
Also Known As: Clofibroyl-coa, Clofibric acid-coa, Clofibric acid-coenzyme A, Clofibroyl-coenzyme A, Coenzyme A, clofibroyl-
| Molecular Formula | C31H45ClN7O18P3S |
|---|---|
| Molecular Weight | 963.14 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 398.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Exact Mass | 963.1443 |
| Heavy Atoms | 61 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 104732-21-0 |
|---|---|
| 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)C(C)(C)OC4=CC=C(C=C4)Cl)O |
| InChIKey | YCMNRTMIKDPOSZ-VXAHOBLNSA-N |
Product Overview
氯贝酸-辅酶A (CAS 104732-21-0), with molecular formula C31H45ClN7O18P3S and molecular weight 963.14 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] 2-(4-chlorophenoxy)-2-methylpropanethioate.
Chemical Property Profile of 氯贝酸-辅酶A
Property Insights of 氯贝酸-辅酶A
The XLogP value of -2.7 indicates that 氯贝酸-辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 398.0 Ų indicates high polarity, suggesting 氯贝酸-辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯贝酸-辅酶A has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氯贝酸-辅酶A?
The CAS number of 氯贝酸-辅酶A is 104732-21-0.
What is the molecular formula of 氯贝酸-辅酶A?
The molecular formula of 氯贝酸-辅酶A is C31H45ClN7O18P3S.
What is the molecular weight of 氯贝酸-辅酶A?
The molecular weight of 氯贝酸-辅酶A is 963.14 g/mol.
Where can I buy 氯贝酸-辅酶A?
You can request a quote for 氯贝酸-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 氯贝酸-辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 氯贝酸-辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.