Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate
TL;DR: Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate (CAS 82207-32-7) is a chemical compound with molecular formula C14H16O2S and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate
Also Known As: methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate, METHYL 2-(PHENYLSULFANYL)CYCLOHEX-3-ENE-1-CARBOXYLATE
| Molecular Formula | C14H16O2S |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.0871 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 82207-32-7 |
|---|---|
| SMILES | COC(=O)C1CCC=CC1SC2=CC=CC=C2 |
| InChIKey | GEMUNLWFNWXREQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate (CAS 82207-32-7), with molecular formula C14H16O2S and molecular weight 248.09 g/mol. IUPAC: methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate
Property Insights of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate
The XLogP value of 3.4 indicates that Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate 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 2-phenylsulfanylcyclohex-3-ene-1-carboxylate?
The CAS number of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate is 82207-32-7.
What is the molecular formula of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate?
The molecular formula of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate is C14H16O2S.
What is the molecular weight of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate?
The molecular weight of Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate is 248.09 g/mol.
Where can I buy Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate?
You can request a quote for Methyl 2-phenylsulfanylcyclohex-3-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 2-phenylsulfanylcyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenylsulfanylcyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.