![2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde structure](/static/products/885/885461-61-0.png)
2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde
TL;DR: 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde (CAS 885461-61-0) is a chemical compound with molecular formula C13H13ClOS and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanylcyclohexene-1-carbaldehyde
Also Known As: 2-[(4-chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde, 2-[(4-CHLOROPHENYL)SULFANYL]CYCLOHEX-1-ENE-1-CARBALDEHYDE, 2-(4-chlorophenyl)sulfanylcyclohexene-1-carbaldehyde, 2-(4-chlorophenyl)sulfanylcyclohex-1-ene-1-carbaldehyde
| Molecular Formula | C13H13ClOS |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 4.4591 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.03757 |
| Heavy Atoms | 16 |
| Complexity | 408.4457 |
Chemical Identifiers
| CAS Number | 885461-61-0 |
|---|---|
| SMILES | C1CCC(=C(C1)C=O)SC2=CC=C(C=C2)Cl |
Product Overview
2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde (CAS 885461-61-0), with molecular formula C13H13ClOS and molecular weight 252.04 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylcyclohexene-1-carbaldehyde.
Chemical Property Profile of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde
Property Insights of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde
The XLogP value of 4.4591 indicates that 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde 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 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde?
The CAS number of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde is 885461-61-0.
What is the molecular formula of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde?
The molecular formula of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde is C13H13ClOS.
What is the molecular weight of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde?
The molecular weight of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde is 252.04 g/mol.
Where can I buy 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde?
You can request a quote for 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.