Methyl cyclohex-1-ene-1-carboxylate
TL;DR: Methyl cyclohex-1-ene-1-carboxylate (CAS 18448-47-0) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cyclohexene-1-carboxylate
Also Known As: methyl cyclohex-1-enecarboxylate, Methyl 1-cyclohexene-1-carboxylate, Methyl 1-Cyclohexenecarboxylate, methyl cyclohexene-1-carboxylate, Methyl cyclohex-1-ene-1-carboxylate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 18448-47-0 |
|---|---|
| SMILES | COC(=O)C1=CCCCC1 |
| InChIKey | KXPWRCPEMHIZGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl cyclohex-1-ene-1-carboxylate (CAS 18448-47-0), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: methyl cyclohexene-1-carboxylate.
Chemical Property Profile of Methyl cyclohex-1-ene-1-carboxylate
Property Insights of Methyl cyclohex-1-ene-1-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyclohex-1-ene-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cyclohex-1-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyclohex-1-ene-1-carboxylate 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 Methyl cyclohex-1-ene-1-carboxylate?
The CAS number of Methyl cyclohex-1-ene-1-carboxylate is 18448-47-0.
What is the molecular formula of Methyl cyclohex-1-ene-1-carboxylate?
The molecular formula of Methyl cyclohex-1-ene-1-carboxylate is C8H12O2.
What is the molecular weight of Methyl cyclohex-1-ene-1-carboxylate?
The molecular weight of Methyl cyclohex-1-ene-1-carboxylate is 140.08 g/mol.
Where can I buy Methyl cyclohex-1-ene-1-carboxylate?
You can request a quote for Methyl cyclohex-1-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyclohex-1-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyclohex-1-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.