4-(4'-chlorobenzyloxy)benzoyl-coenzyme A
TL;DR: 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A (CAS 93604-15-0) is a chemical compound with molecular formula C35H45ClN7O18P3S and molecular weight 1011.14 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-[(4-chlorophenyl)methoxy]benzenecarbothioate
Also Known As: Mii-coa, Coenzyme A, 4-(4-chlorobenzyloxy)benzoyl-, 4-(4'-Chlorobenzyloxy)benzoyl-coenzyme A, Mii-CoA; (Acyl-CoA); [M+H]+;, Coenzyme A, 6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-alpha-D-galactopyranosyl, (3alpha,5beta,7alpha,12alpha,24xi)-
| Molecular Formula | C35H45ClN7O18P3S |
|---|---|
| Molecular Weight | 1011.14 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 398.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Exact Mass | 1011.1443 |
| Heavy Atoms | 65 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 93604-15-0 |
|---|---|
| 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)OCC5=CC=C(C=C5)Cl)O |
| InChIKey | IHFHTPGRCROVMT-IJNDEUHLSA-N |
Product Overview
4-(4'-chlorobenzyloxy)benzoyl-coenzyme A (CAS 93604-15-0), with molecular formula C35H45ClN7O18P3S and molecular weight 1011.14 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] 4-[(4-chlorophenyl)methoxy]benzenecarbothioate.
Chemical Property Profile of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A
Property Insights of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A
The XLogP value of -1.9 indicates that 4-(4'-chlorobenzyloxy)benzoyl-coenzyme 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 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4'-chlorobenzyloxy)benzoyl-coenzyme 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 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A?
The CAS number of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A is 93604-15-0.
What is the molecular formula of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A?
The molecular formula of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A is C35H45ClN7O18P3S.
What is the molecular weight of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A?
The molecular weight of 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A is 1011.14 g/mol.
Where can I buy 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A?
You can request a quote for 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 4-(4'-chlorobenzyloxy)benzoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.