Orbencarb
TL;DR: Orbencarb (CAS 34622-58-7) is a chemical compound with molecular formula C12H16ClNOS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(2-chlorophenyl)methyl] N,N-diethylcarbamothioate
Also Known As: Orbencarb, Lanray, ORTHOBENCARB, Orbencarb [ISO], S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate
| Molecular Formula | C12H16ClNOS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.06412 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 34622-58-7 |
|---|---|
| SMILES | CCN(CC)C(=O)SCC1=CC=CC=C1Cl |
| InChIKey | LLLFASISUZUJEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Orbencarb (CAS 34622-58-7), with molecular formula C12H16ClNOS and molecular weight 257.06 g/mol. IUPAC: S-[(2-chlorophenyl)methyl] N,N-diethylcarbamothioate.
Chemical Property Profile of Orbencarb
Property Insights of Orbencarb
The XLogP value of 3.4 indicates that Orbencarb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Orbencarb exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Orbencarb 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 Orbencarb?
The CAS number of Orbencarb is 34622-58-7.
What is the molecular formula of Orbencarb?
The molecular formula of Orbencarb is C12H16ClNOS.
What is the molecular weight of Orbencarb?
The molecular weight of Orbencarb is 257.06 g/mol.
Where can I buy Orbencarb?
You can request a quote for Orbencarb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orbencarb?
Yes, KEHONG BIO provides custom synthesis services for Orbencarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.