4-Azidobenzoyl-coenzyme A
TL;DR: 4-Azidobenzoyl-coenzyme A (CAS 72572-98-6) is a chemical compound with molecular formula C28H39N10O17P3S and molecular weight 912.14 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-azidobenzenecarbothioate
Also Known As: p-Azidobenzoyl-coa, 4-Azidobenzoyl-coenzyme A, p-Azidobenzoyl-coenzyme A, Coenzyme A, 4-azidobenzoyl-, Coenzyme A, S-(4-azidobenzoate)
| Molecular Formula | C28H39N10O17P3S |
|---|---|
| Molecular Weight | 912.14 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 403.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Exact Mass | 912.1428 |
| Heavy Atoms | 59 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 72572-98-6 |
|---|---|
| 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)N=[N+]=[N-])O |
| InChIKey | RHPFXRVQBZPHGR-TYHXJLICSA-N |
Product Overview
4-Azidobenzoyl-coenzyme A (CAS 72572-98-6), with molecular formula C28H39N10O17P3S and molecular weight 912.14 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-azidobenzenecarbothioate.
Chemical Property Profile of 4-Azidobenzoyl-coenzyme A
Property Insights of 4-Azidobenzoyl-coenzyme A
The XLogP value of -3.1 indicates that 4-Azidobenzoyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 403.0 Ų indicates high polarity, suggesting 4-Azidobenzoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Azidobenzoyl-coenzyme A has 9 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Azidobenzoyl-coenzyme A?
The CAS number of 4-Azidobenzoyl-coenzyme A is 72572-98-6.
What is the molecular formula of 4-Azidobenzoyl-coenzyme A?
The molecular formula of 4-Azidobenzoyl-coenzyme A is C28H39N10O17P3S.
What is the molecular weight of 4-Azidobenzoyl-coenzyme A?
The molecular weight of 4-Azidobenzoyl-coenzyme A is 912.14 g/mol.
Where can I buy 4-Azidobenzoyl-coenzyme A?
You can request a quote for 4-Azidobenzoyl-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-Azidobenzoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidobenzoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.