4-coumaroyl-CoA
TL;DR: 4-coumaroyl-CoA (CAS 30802-00-7) is a chemical compound with molecular formula C30H42N7O18P3S and molecular weight 913.15 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] 3-(4-hydroxyphenyl)prop-2-enethioate
Also Known As: 4-coumaroyl-CoA
| Molecular Formula | C30H42N7O18P3S |
|---|---|
| Molecular Weight | 913.15 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 913.152 |
| Heavy Atoms | 59 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 30802-00-7 |
|---|---|
| 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=CC4=CC=C(C=C4)O)O |
| InChIKey | DMZOKBALNZWDKI-FUEUKBNZSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-coumaroyl-CoA (CAS 30802-00-7), with molecular formula C30H42N7O18P3S and molecular weight 913.15 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] 3-(4-hydroxyphenyl)prop-2-enethioate.
Chemical Property Profile of 4-coumaroyl-CoA
Property Insights of 4-coumaroyl-CoA
The XLogP value of -3.9 indicates that 4-coumaroyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting 4-coumaroyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-coumaroyl-CoA 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 4-coumaroyl-CoA?
The CAS number of 4-coumaroyl-CoA is 30802-00-7.
What is the molecular formula of 4-coumaroyl-CoA?
The molecular formula of 4-coumaroyl-CoA is C30H42N7O18P3S.
What is the molecular weight of 4-coumaroyl-CoA?
The molecular weight of 4-coumaroyl-CoA is 913.15 g/mol.
Where can I buy 4-coumaroyl-CoA?
You can request a quote for 4-coumaroyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-coumaroyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 4-coumaroyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.