3-Butyl-oxirane-2-carboxylic acid methyl ester
TL;DR: 3-Butyl-oxirane-2-carboxylic acid methyl ester (CAS 137942-31-5) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-butyloxirane-2-carboxylate
Also Known As: methyl 3-butyloxirane-2-carboxylate, 3-Butyl-oxirane-2-carboxylic acid methyl ester, Oxiranecarboxylic acid, 3-butyl-, methyl ester, trans-
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| SMILES | CCCCC1C(O1)C(=O)OC |
| InChIKey | PWCHCSPGSPYCEF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butyl-oxirane-2-carboxylic acid methyl ester
Property Insights of 3-Butyl-oxirane-2-carboxylic acid methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-oxirane-2-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, 3-Butyl-oxirane-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-oxirane-2-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Butyl-oxirane-2-carboxylic acid methyl ester?
The CAS number of 3-Butyl-oxirane-2-carboxylic acid methyl ester is 137942-31-5.
What is the molecular formula of 3-Butyl-oxirane-2-carboxylic acid methyl ester?
The molecular formula of 3-Butyl-oxirane-2-carboxylic acid methyl ester is C8H14O3.
What is the molecular weight of 3-Butyl-oxirane-2-carboxylic acid methyl ester?
The molecular weight of 3-Butyl-oxirane-2-carboxylic acid methyl ester is 158.0943 g/mol.
Where can I buy 3-Butyl-oxirane-2-carboxylic acid methyl ester?
You can request a quote for 3-Butyl-oxirane-2-carboxylic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butyl-oxirane-2-carboxylic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Butyl-oxirane-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.