Bezafibroyl-coenzyme A
TL;DR: Bezafibroyl-coenzyme A (CAS 109881-30-3) is a chemical compound with molecular formula C40H54ClN8O19P3S and molecular weight 1110.21 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] 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanethioate
Also Known As: Bezafibroyl-coa, Bezafibroyl-coenzyme A, Coenzyme A, bezafibroyl-, Bezafibroyl-CoA; (Acyl-CoA); [M+H]+;, J1.790.982G
| Molecular Formula | C40H54ClN8O19P3S |
|---|---|
| Molecular Weight | 1110.21 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 427.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 27 |
| Exact Mass | 1110.2128 |
| Heavy Atoms | 72 |
| Complexity | 1990.0 |
Chemical Identifiers
| CAS Number | 109881-30-3 |
|---|---|
| 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)C(C)(C)OC4=CC=C(C=C4)CCNC(=O)C5=CC=C(C=C5)Cl)O |
| InChIKey | OZLXUAXALOFHOV-JODUHGKGSA-N |
Product Overview
Bezafibroyl-coenzyme A (CAS 109881-30-3), with molecular formula C40H54ClN8O19P3S and molecular weight 1110.21 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-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanethioate.
Chemical Property Profile of Bezafibroyl-coenzyme A
Property Insights of Bezafibroyl-coenzyme A
The XLogP value of -1.5 indicates that Bezafibroyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.0 Ų indicates high polarity, suggesting Bezafibroyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bezafibroyl-coenzyme A has 10 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 Bezafibroyl-coenzyme A?
The CAS number of Bezafibroyl-coenzyme A is 109881-30-3.
What is the molecular formula of Bezafibroyl-coenzyme A?
The molecular formula of Bezafibroyl-coenzyme A is C40H54ClN8O19P3S.
What is the molecular weight of Bezafibroyl-coenzyme A?
The molecular weight of Bezafibroyl-coenzyme A is 1110.21 g/mol.
Where can I buy Bezafibroyl-coenzyme A?
You can request a quote for Bezafibroyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bezafibroyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Bezafibroyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.