CH3-malonyl-CoA
TL;DR: CH3-malonyl-CoA (CAS 73173-91-8) is a chemical compound with molecular formula C25H40N7O19P3S and molecular weight 867.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-[2-[3-[[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]-2-methyl-3-oxopropanoic acid
Also Known As: CH3-malonyl-CoA, Methylmalonyl coa, methylmalonyl-CoA, D-methylmalonyl-CoA, L-methylmalonyl-CoA
| Molecular Formula | C25H40N7O19P3S |
|---|---|
| Molecular Weight | 867.13 g/mol |
| LogP | -5.4 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Exact Mass | 867.1312 |
| Heavy Atoms | 55 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 73173-91-8 |
|---|---|
| SMILES | C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(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 |
| InChIKey | MZFOKIKEPGUZEN-PNEPRAIJSA-N |
Product Overview
CH3-malonyl-CoA (CAS 73173-91-8), with molecular formula C25H40N7O19P3S and molecular weight 867.13 g/mol. IUPAC: (2S)-3-[2-[3-[[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]-2-methyl-3-oxopropanoic acid.
Chemical Property Profile of CH3-malonyl-CoA
Property Insights of CH3-malonyl-CoA
The XLogP value of -5.4 indicates that CH3-malonyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting CH3-malonyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CH3-malonyl-CoA 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 CH3-malonyl-CoA?
The CAS number of CH3-malonyl-CoA is 73173-91-8.
What is the molecular formula of CH3-malonyl-CoA?
The molecular formula of CH3-malonyl-CoA is C25H40N7O19P3S.
What is the molecular weight of CH3-malonyl-CoA?
The molecular weight of CH3-malonyl-CoA is 867.13 g/mol.
Where can I buy CH3-malonyl-CoA?
You can request a quote for CH3-malonyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CH3-malonyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for CH3-malonyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.