2-甲基丁酰辅酶A
TL;DR: 2-甲基丁酰辅酶A (CAS 6712-02-3) is a chemical compound with molecular formula C26H44N7O17P3S and molecular weight 851.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丁酰辅酶A
S-[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]ethyl] 2-methylbutanethioate
Also Known As: 2-methylbutyryl-CoA, 2-Methylbutyryl CoA, 2-methylbutanoyl-CoA, Dec-4-enedioyl-CoA, alpha-Methylbutyryl CoA
| Molecular Formula | C26H44N7O17P3S |
|---|---|
| Molecular Weight | 851.17 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Exact Mass | 851.1727 |
| Heavy Atoms | 54 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 6712-02-3 |
|---|---|
| SMILES | CCC(C)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 | LYNVNYDEQMMNMZ-PCLZRLGGSA-N |
Product Overview
2-甲基丁酰辅酶A (CAS 6712-02-3), with molecular formula C26H44N7O17P3S and molecular weight 851.17 g/mol. IUPAC: S-[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]ethyl] 2-methylbutanethioate.
Chemical Property Profile of 2-甲基丁酰辅酶A
Property Insights of 2-甲基丁酰辅酶A
The XLogP value of -4.2 indicates that 2-甲基丁酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 2-甲基丁酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-甲基丁酰辅酶A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-甲基丁酰辅酶A?
The CAS number of 2-甲基丁酰辅酶A is 6712-02-3.
What is the molecular formula of 2-甲基丁酰辅酶A?
The molecular formula of 2-甲基丁酰辅酶A is C26H44N7O17P3S.
What is the molecular weight of 2-甲基丁酰辅酶A?
The molecular weight of 2-甲基丁酰辅酶A is 851.17 g/mol.
Where can I buy 2-甲基丁酰辅酶A?
You can request a quote for 2-甲基丁酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.