Methyl 3-(benzyloxy)cyclobutanecarboxylate
TL;DR: Methyl 3-(benzyloxy)cyclobutanecarboxylate (CAS 5107-93-7) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylmethoxycyclobutane-1-carboxylate
Also Known As: METHYL 3-(BENZYLOXY)CYCLOBUTANECARBOXYLATE, Methyl cis-3-(benzyloxy)cyclobutanecarboxylate, Methyl trans-3-(benzyloxy)cyclobutanecarboxylate, METHYL 3-(BENZYLOXY)CYCLOBUTANE-1-CARBOXYLATE, methyl 3-phenylmethoxycyclobutane-1-carboxylate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5107-93-7 |
|---|---|
| SMILES | COC(=O)C1CC(C1)OCC2=CC=CC=C2 |
| InChIKey | COSCRJLYEZUUMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(benzyloxy)cyclobutanecarboxylate (CAS 5107-93-7), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: methyl 3-phenylmethoxycyclobutane-1-carboxylate.
Chemical Property Profile of Methyl 3-(benzyloxy)cyclobutanecarboxylate
Property Insights of Methyl 3-(benzyloxy)cyclobutanecarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(benzyloxy)cyclobutanecarboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-(benzyloxy)cyclobutanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(benzyloxy)cyclobutanecarboxylate 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
Frequently Asked Questions
What is the CAS number of Methyl 3-(benzyloxy)cyclobutanecarboxylate?
The CAS number of Methyl 3-(benzyloxy)cyclobutanecarboxylate is 5107-93-7.
What is the molecular formula of Methyl 3-(benzyloxy)cyclobutanecarboxylate?
The molecular formula of Methyl 3-(benzyloxy)cyclobutanecarboxylate is C13H16O3.
What is the molecular weight of Methyl 3-(benzyloxy)cyclobutanecarboxylate?
The molecular weight of Methyl 3-(benzyloxy)cyclobutanecarboxylate is 220.11 g/mol.
Where can I buy Methyl 3-(benzyloxy)cyclobutanecarboxylate?
You can request a quote for Methyl 3-(benzyloxy)cyclobutanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(benzyloxy)cyclobutanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(benzyloxy)cyclobutanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.