4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester
TL;DR: 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester (CAS 63041-05-4) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanoate
Also Known As: Methyl diepoxydiallylacetate, 4,5-Epoxy-2-glycidylvalericacidmethylester, 4,5-Epoxy-2-glycidylvaleric acid methyl ester, 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester, 4-19-00-03473 (Beilstein Handbook Reference)
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 51.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 63041-05-4 |
|---|---|
| SMILES | COC(=O)C(CC1CO1)CC2CO2 |
| InChIKey | ILJVOXGLNJDLIE-UHFFFAOYSA-N |
Product Overview
4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester (CAS 63041-05-4), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: methyl 3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanoate.
Chemical Property Profile of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester
Property Insights of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester. With a topological polar surface area (TPSA) of 51.4 Ų, 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester?
The CAS number of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester is 63041-05-4.
What is the molecular formula of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester?
The molecular formula of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester is C9H14O4.
What is the molecular weight of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester?
The molecular weight of 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester is 186.09 g/mol.
Where can I buy 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester?
You can request a quote for 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.