Carboxymethyl-coa
TL;DR: Carboxymethyl-coa (CAS 79955-48-9) is a chemical compound with molecular formula C23H38N7O18P3S and molecular weight 825.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[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]ethylsulfanyl]acetic acid
Also Known As: Carboxymethyl-coa, Carboxymethyl-coenzyme A, Coenzyme A, carboxymethyl-, S-(carboxymethyl)-CoA, CARBOXYMETHYL COENZYME *A
| Molecular Formula | C23H38N7O18P3S |
|---|---|
| Molecular Weight | 825.12 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Exact Mass | 825.12067 |
| Heavy Atoms | 52 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 79955-48-9 |
|---|---|
| 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)NCCSCC(=O)O)O |
| InChIKey | OBUOSIHPWVNVJN-GRFIIANRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carboxymethyl-coa (CAS 79955-48-9), with molecular formula C23H38N7O18P3S and molecular weight 825.12 g/mol. IUPAC: 2-[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]ethylsulfanyl]acetic acid.
Chemical Property Profile of Carboxymethyl-coa
Property Insights of Carboxymethyl-coa
The XLogP value of -5.8 indicates that Carboxymethyl-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 Carboxymethyl-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carboxymethyl-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 Carboxymethyl-coa?
The CAS number of Carboxymethyl-coa is 79955-48-9.
What is the molecular formula of Carboxymethyl-coa?
The molecular formula of Carboxymethyl-coa is C23H38N7O18P3S.
What is the molecular weight of Carboxymethyl-coa?
The molecular weight of Carboxymethyl-coa is 825.12 g/mol.
Where can I buy Carboxymethyl-coa?
You can request a quote for Carboxymethyl-coa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxymethyl-coa?
Yes, KEHONG BIO provides custom synthesis services for Carboxymethyl-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.