Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester
TL;DR: Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester (CAS 4935-01-7) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl bicyclo[1.1.0]butane-1-carboxylate
Also Known As: methyl bicyclo[1.1.0]butane-1-carboxylate, methylbicyclo[1.1.0]butane-1-carboxylate, Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester, methyl bicyclo(1.1.0)butane-1-carboxylate, methyl bicyclo[1.1.0]butane-3-carboxylate
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 4935-01-7 |
|---|---|
| SMILES | COC(=O)C12CC1C2 |
| InChIKey | YMPZUSVGLNAWPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester (CAS 4935-01-7), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: methyl bicyclo[1.1.0]butane-1-carboxylate.
Chemical Property Profile of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester
Property Insights of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester has 0 hydrogen bond donor(s) and 2 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 Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester?
The CAS number of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester is 4935-01-7.
What is the molecular formula of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester?
The molecular formula of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester is C6H8O2.
What is the molecular weight of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester?
The molecular weight of Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester is 112.05 g/mol.
Where can I buy Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester?
You can request a quote for Bicyclo(1.1.0)butane-1-carboxcylic 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 Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(1.1.0)butane-1-carboxcylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.