3-Hydroxy-3-ethylglutaryl-coenzyme A
TL;DR: 3-Hydroxy-3-ethylglutaryl-coenzyme A (CAS 90358-27-3) is a chemical compound with molecular formula C28H46N7O20P3S and molecular weight 925.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[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-ethyl-3-hydroxy-5-oxopentanoic acid
Also Known As: Hydroxyethylglutaryl-coa, Heg-coa, 3-Hydroxy-3-ethylglutaryl-coa, 3-Hydroxy-3-ethylglutaryl-coenzyme A, KST-1B9130
| Molecular Formula | C28H46N7O20P3S |
|---|---|
| Molecular Weight | 925.17 g/mol |
| LogP | -6.1 |
| Topological Polar Surface Area | 446.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Exact Mass | 925.1731 |
| Heavy Atoms | 59 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 90358-27-3 |
|---|---|
| SMILES | CCC(CC(=O)O)(CC(=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)O |
| InChIKey | JZLVGSUYGVLVTI-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3-ethylglutaryl-coenzyme A (CAS 90358-27-3), with molecular formula C28H46N7O20P3S and molecular weight 925.17 g/mol. IUPAC: 5-[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-ethyl-3-hydroxy-5-oxopentanoic acid.
Chemical Property Profile of 3-Hydroxy-3-ethylglutaryl-coenzyme A
Property Insights of 3-Hydroxy-3-ethylglutaryl-coenzyme A
The XLogP value of -6.1 indicates that 3-Hydroxy-3-ethylglutaryl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting 3-Hydroxy-3-ethylglutaryl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxy-3-ethylglutaryl-coenzyme A has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-3-ethylglutaryl-coenzyme A?
The CAS number of 3-Hydroxy-3-ethylglutaryl-coenzyme A is 90358-27-3.
What is the molecular formula of 3-Hydroxy-3-ethylglutaryl-coenzyme A?
The molecular formula of 3-Hydroxy-3-ethylglutaryl-coenzyme A is C28H46N7O20P3S.
What is the molecular weight of 3-Hydroxy-3-ethylglutaryl-coenzyme A?
The molecular weight of 3-Hydroxy-3-ethylglutaryl-coenzyme A is 925.17 g/mol.
Where can I buy 3-Hydroxy-3-ethylglutaryl-coenzyme A?
You can request a quote for 3-Hydroxy-3-ethylglutaryl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-ethylglutaryl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-ethylglutaryl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.