RefChem:385440
TL;DR: RefChem:385440 (CAS 79759-58-3) is a chemical compound with molecular formula C17H17ClN4OS and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethyl]-3-methylthiourea
Also Known As: N-(2-(5-Chloro-2-oxo-3-phenyl-2,3-dihydro-1H-benzimidazol-1-yl)ethyl)-N'-methylthiourea, N-Methyl-N'-(1-(2-oxo-3-phenyl-5-chloro-benzimidazolin-1-yl)ethyl)thiourea, Thiourea, N-(2-(5-chloro-2-oxo-3-phenyl-2,3-dihydro-1H-benzimidazol-1-yl)ethyl)-N'-methyl-, 1-[2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethyl]-3-methylthiourea, N-[2-(5-Chloro-2-oxo-3-phenyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl)ethyl]-N'-methylcarbamimidothioic acid
| Molecular Formula | C17H17ClN4OS |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.5395 |
| Topological Polar Surface Area | 50.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.08115 |
| Heavy Atoms | 24 |
| Complexity | 932.9087 |
Chemical Identifiers
| CAS Number | 79759-58-3 |
|---|---|
| SMILES | CNC(=S)NCCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3 |
Product Overview
RefChem:385440 (CAS 79759-58-3), with molecular formula C17H17ClN4OS and molecular weight 360.08 g/mol. IUPAC: 1-[2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethyl]-3-methylthiourea.
Chemical Property Profile of RefChem:385440
Property Insights of RefChem:385440
The XLogP value of 2.5395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:385440. With a topological polar surface area (TPSA) of 50.99 Ų, RefChem:385440 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:385440 has 2 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 RefChem:385440?
The CAS number of RefChem:385440 is 79759-58-3.
What is the molecular formula of RefChem:385440?
The molecular formula of RefChem:385440 is C17H17ClN4OS.
What is the molecular weight of RefChem:385440?
The molecular weight of RefChem:385440 is 360.08 g/mol.
Where can I buy RefChem:385440?
You can request a quote for RefChem:385440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385440?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.