RefChem:1080997
TL;DR: RefChem:1080997 (CAS 965-81-1) is a chemical compound with molecular formula C14H19ClN2O2S2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-chlorophenyl)sulfonyl-N'-cyclohexylcarbamimidothioate
Also Known As: Methyl N'-((4-chlorophenyl)sulfonyl)-N-cyclohexylcarbamimidothioate, p-Chlorobenzenesulfonyl-3 cyclohexyl-1 methyl-2 isothiouree [French], Carbamimidothioic acid, N'-((4-chlorophenyl)sulfonyl)-N-cyclohexyl-, methyl ester, methyl n-[(4-chlorophenyl)sulfonyl]-n'-cyclohexylcarbamimidothioate, p-Chlorobenzenesulfonyl-3 cyclohexyl-1 methyl-2 isothiouree
| Molecular Formula | C14H19ClN2O2S2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.05765 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 965-81-1 |
|---|---|
| SMILES | CSC(=NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | SYCHHBSUQMFRCW-UHFFFAOYSA-N |
Product Overview
RefChem:1080997 (CAS 965-81-1), with molecular formula C14H19ClN2O2S2 and molecular weight 346.06 g/mol. IUPAC: methyl N-(4-chlorophenyl)sulfonyl-N'-cyclohexylcarbamimidothioate.
Chemical Property Profile of RefChem:1080997
Property Insights of RefChem:1080997
The XLogP value of 4.1 indicates that RefChem:1080997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080997. Following Lipinski's Rule of Five, RefChem:1080997 has 1 hydrogen bond donor(s) and 4 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 RefChem:1080997?
The CAS number of RefChem:1080997 is 965-81-1.
What is the molecular formula of RefChem:1080997?
The molecular formula of RefChem:1080997 is C14H19ClN2O2S2.
What is the molecular weight of RefChem:1080997?
The molecular weight of RefChem:1080997 is 346.06 g/mol.
Where can I buy RefChem:1080997?
You can request a quote for RefChem:1080997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080997?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.