S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate
TL;DR: S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate (CAS 307952-83-6) is a chemical compound with molecular formula C16H17NOS and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate
Also Known As: S-cyclohexyl 3-(4-cyanophenyl)-2-propenethioate, S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate
| Molecular Formula | C16H17NOS |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.1031 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 307952-83-6 |
|---|---|
| SMILES | C1CCC(CC1)SC(=O)C=CC2=CC=C(C=C2)C#N |
| InChIKey | KQRQGSFAJQNSQZ-UHFFFAOYSA-N |
Product Overview
S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate (CAS 307952-83-6), with molecular formula C16H17NOS and molecular weight 271.10 g/mol. IUPAC: S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate.
Chemical Property Profile of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate
Property Insights of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate
The XLogP value of 4.3 indicates that S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate. Following Lipinski's Rule of Five, S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate 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 S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate?
The CAS number of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate is 307952-83-6.
What is the molecular formula of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate?
The molecular formula of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate is C16H17NOS.
What is the molecular weight of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate?
The molecular weight of S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate is 271.10 g/mol.
Where can I buy S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate?
You can request a quote for S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-cyclohexyl 3-(4-cyanophenyl)prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.