Ontianil
TL;DR: Ontianil (CAS 35727-72-1) is a chemical compound with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2,6-dioxocyclohexane-1-carbothioamide
Also Known As: Ontianil, Ontianilum, Ontianil [INN], ontianilo, Ontianilum [INN-Latin]
| Molecular Formula | C13H12ClNO2S |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | 3.0176 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.02774 |
| Heavy Atoms | 18 |
| Complexity | 482.21765 |
Chemical Identifiers
| CAS Number | 35727-72-1 |
|---|---|
| SMILES | C1CC(=O)C(C(=O)C1)C(=S)NC2=CC=C(C=C2)Cl |
Product Overview
Ontianil (CAS 35727-72-1), with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol. IUPAC: N-(4-chlorophenyl)-2,6-dioxocyclohexane-1-carbothioamide.
Chemical Property Profile of Ontianil
Property Insights of Ontianil
The XLogP value of 3.0176 indicates that Ontianil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, Ontianil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ontianil has 1 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 Ontianil?
The CAS number of Ontianil is 35727-72-1.
What is the molecular formula of Ontianil?
The molecular formula of Ontianil is C13H12ClNO2S.
What is the molecular weight of Ontianil?
The molecular weight of Ontianil is 281.03 g/mol.
Where can I buy Ontianil?
You can request a quote for Ontianil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ontianil?
Yes, KEHONG BIO provides custom synthesis services for Ontianil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.