choloyl-CoA
TL;DR: choloyl-CoA (CAS 6050-48-2) is a chemical compound with molecular formula C45H74N7O20P3S and molecular weight 1157.39 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] (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate
Also Known As: Choloyl-CoA, Cholyl-coenzyme A, cholyl-CoA, Choloyl-coenzyme A, Cholanoyl Coenzyme A
| Molecular Formula | C45H74N7O20P3S |
|---|---|
| Molecular Weight | 1157.39 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Exact Mass | 1157.3922 |
| Heavy Atoms | 76 |
| Complexity | 2210.0 |
Chemical Identifiers
| CAS Number | 6050-48-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C |
| InChIKey | ZKWNOTQHFKYUNU-JGCIYWTLSA-N |
Product Overview
choloyl-CoA (CAS 6050-48-2), with molecular formula C45H74N7O20P3S and molecular weight 1157.39 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] (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate.
Chemical Property Profile of choloyl-CoA
Property Insights of choloyl-CoA
The XLogP value of -1.9 indicates that choloyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting choloyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, choloyl-CoA has 12 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of choloyl-CoA?
The CAS number of choloyl-CoA is 6050-48-2.
What is the molecular formula of choloyl-CoA?
The molecular formula of choloyl-CoA is C45H74N7O20P3S.
What is the molecular weight of choloyl-CoA?
The molecular weight of choloyl-CoA is 1157.39 g/mol.
Where can I buy choloyl-CoA?
You can request a quote for choloyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for choloyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for choloyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.