RefChem:332399
TL;DR: RefChem:332399 (CAS 89427-20-3) is a chemical compound with molecular formula C11H8Cl2F3N3O2 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazol-4-yl] N,N-dimethylcarbamate
Also Known As: Carbamic acid, dimethyl-, 5,6-dichloro-2-(trifluoromethyl)-4-benzimidazolyl ester, Benzimidazol-4-ol, 5,6-dichloro-2-(trifluoromethyl)-, dimethylcarbamate, [5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazol-4-yl]n,N-dimethylcarbamate, [5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazol-4-yl] N,N-dimethylcarbamate, 5,6-Dichloro-2-(trifluoromethyl)-1H-1,3-benzimidazol-4-yl dimethylcarbamate
| Molecular Formula | C11H8Cl2F3N3O2 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.99457 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 89427-20-3 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C2C(=CC(=C1Cl)Cl)NC(=N2)C(F)(F)F |
| InChIKey | KPGUUMARSUECQE-UHFFFAOYSA-N |
Product Overview
RefChem:332399 (CAS 89427-20-3), with molecular formula C11H8Cl2F3N3O2 and molecular weight 340.99 g/mol. IUPAC: [5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazol-4-yl] N,N-dimethylcarbamate.
Chemical Property Profile of RefChem:332399
Property Insights of RefChem:332399
The XLogP value of 3.4 indicates that RefChem:332399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:332399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332399 has 1 hydrogen bond donor(s) and 6 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:332399?
The CAS number of RefChem:332399 is 89427-20-3.
What is the molecular formula of RefChem:332399?
The molecular formula of RefChem:332399 is C11H8Cl2F3N3O2.
What is the molecular weight of RefChem:332399?
The molecular weight of RefChem:332399 is 340.99 g/mol.
Where can I buy RefChem:332399?
You can request a quote for RefChem:332399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332399?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.