丙二酰辅酶A
TL;DR: 丙二酰辅酶A (CAS 524-14-1) is a chemical compound with molecular formula C24H38N7O19P3S and molecular weight 853.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二酰辅酶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]-3-oxopropanoic acid
Also Known As: Malonyl Coenzyme A, Free acid, MALONYL COENZYME A, Malonyl coenzyme A lithium salt, KST-1B4963, 1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-s
| Molecular Formula | C24H38N7O19P3S |
|---|---|
| Molecular Weight | 853.12 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Exact Mass | 853.1156 |
| Heavy Atoms | 54 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 524-14-1 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O |
| InChIKey | LTYOQGRJFJAKNA-UHFFFAOYSA-N |
Product Overview
丙二酰辅酶A (CAS 524-14-1), with molecular formula C24H38N7O19P3S and molecular weight 853.12 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]-3-oxopropanoic acid.
Chemical Property Profile of 丙二酰辅酶A
Property Insights of 丙二酰辅酶A
The XLogP value of -5.9 indicates that 丙二酰辅酶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 丙二酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 丙二酰辅酶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 丙二酰辅酶A?
The CAS number of 丙二酰辅酶A is 524-14-1.
What is the molecular formula of 丙二酰辅酶A?
The molecular formula of 丙二酰辅酶A is C24H38N7O19P3S.
What is the molecular weight of 丙二酰辅酶A?
The molecular weight of 丙二酰辅酶A is 853.12 g/mol.
Where can I buy 丙二酰辅酶A?
You can request a quote for 丙二酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 丙二酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.