2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole
TL;DR: 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole (CAS 58563-96-5) is a chemical compound with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(2-prop-2-enylsulfanylbenzimidazol-1-yl)methanone
Also Known As: 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole, AI-204/31718014, (4-chlorophenyl)-(2-prop-2-enylsulfanylbenzimidazol-1-yl)methanone
| Molecular Formula | C17H13ClN2OS |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 4.6563 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0437 |
| Heavy Atoms | 22 |
| Complexity | 839.49115 |
Chemical Identifiers
| CAS Number | 58563-96-5 |
|---|---|
| SMILES | C=CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole (CAS 58563-96-5), with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol. IUPAC: (4-chlorophenyl)-(2-prop-2-enylsulfanylbenzimidazol-1-yl)methanone.
Chemical Property Profile of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole
Property Insights of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole
The XLogP value of 4.6563 indicates that 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole has 0 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 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole?
The CAS number of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole is 58563-96-5.
What is the molecular formula of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole?
The molecular formula of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole is C17H13ClN2OS.
What is the molecular weight of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole?
The molecular weight of 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole is 328.04 g/mol.
Where can I buy 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole?
You can request a quote for 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylsulfanyl)-1-(4-chlorobenzoyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.