Coenzyme A, S-(4-hydroxybenzoate)
TL;DR: Coenzyme A, S-(4-hydroxybenzoate) (CAS 33360-21-3) is a chemical compound with molecular formula C28H40N7O18P3S and molecular weight 887.14 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-hydroxybenzenecarbothioate
Also Known As: 4-hydroxybenzoyl-CoA, 4-Hydroxybenzoyl-coenzyme A, p-hydroxybenzoyl-CoA, p-hydroxybenzoyl-coenzyme A, p-Hydroxybenzoyl CoA
| Molecular Formula | C28H40N7O18P3S |
|---|---|
| Molecular Weight | 887.14 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Exact Mass | 887.13635 |
| Heavy Atoms | 57 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 33360-21-3 |
|---|---|
| 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)O)O |
| InChIKey | LTVXPVBFJBTNIJ-TYHXJLICSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coenzyme A, S-(4-hydroxybenzoate) (CAS 33360-21-3), with molecular formula C28H40N7O18P3S and molecular weight 887.14 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-hydroxybenzenecarbothioate.
Chemical Property Profile of Coenzyme A, S-(4-hydroxybenzoate)
Property Insights of Coenzyme A, S-(4-hydroxybenzoate)
The XLogP value of -4.3 indicates that Coenzyme A, S-(4-hydroxybenzoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting Coenzyme A, S-(4-hydroxybenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(4-hydroxybenzoate) has 10 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 Coenzyme A, S-(4-hydroxybenzoate)?
The CAS number of Coenzyme A, S-(4-hydroxybenzoate) is 33360-21-3.
What is the molecular formula of Coenzyme A, S-(4-hydroxybenzoate)?
The molecular formula of Coenzyme A, S-(4-hydroxybenzoate) is C28H40N7O18P3S.
What is the molecular weight of Coenzyme A, S-(4-hydroxybenzoate)?
The molecular weight of Coenzyme A, S-(4-hydroxybenzoate) is 887.14 g/mol.
Where can I buy Coenzyme A, S-(4-hydroxybenzoate)?
You can request a quote for Coenzyme A, S-(4-hydroxybenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coenzyme A, S-(4-hydroxybenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Coenzyme A, S-(4-hydroxybenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.