甲基丙二酸单酰辅酶A
TL;DR: 甲基丙二酸单酰辅酶A (CAS 1264-45-5) 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.
甲基丙二酸单酰辅酶A
3-[2-[3-[[4-[[[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: Methylmalonyl coa, 2-Iodobenzotrifluoride, (R)-methylmalonyl-CoA, methylmalonyl-coenzyme A, Methylmalonyl coenzyme A
| 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 | 1264-45-5 |
|---|---|
| SMILES | CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | MZFOKIKEPGUZEN-UHFFFAOYSA-N |
Product Overview
甲基丙二酸单酰辅酶A (CAS 1264-45-5), with molecular formula C25H40N7O19P3S and molecular weight 867.13 g/mol. IUPAC: 3-[2-[3-[[4-[[[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 甲基丙二酸单酰辅酶A
Property Insights of 甲基丙二酸单酰辅酶A
The XLogP value of -5.4 indicates that 甲基丙二酸单酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting 甲基丙二酸单酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甲基丙二酸单酰辅酶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 甲基丙二酸单酰辅酶A?
The CAS number of 甲基丙二酸单酰辅酶A is 1264-45-5.
What is the molecular formula of 甲基丙二酸单酰辅酶A?
The molecular formula of 甲基丙二酸单酰辅酶A is C25H40N7O19P3S.
What is the molecular weight of 甲基丙二酸单酰辅酶A?
The molecular weight of 甲基丙二酸单酰辅酶A is 867.13 g/mol.
Where can I buy 甲基丙二酸单酰辅酶A?
You can request a quote for 甲基丙二酸单酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基丙二酸单酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 甲基丙二酸单酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.