1-Octadecylbenzimidazole-2-thiol
TL;DR: 1-Octadecylbenzimidazole-2-thiol (CAS 537009-89-5) is a chemical compound with molecular formula C25H42N2S and molecular weight 402.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecyl-1H-benzimidazole-2-thione
Also Known As: 1-octadecylbenzimidazole-2-thiol, 1-octadecyl-1H-benzimidazole-2-thiol, 3-octadecyl-1H-benzimidazole-2-thione, 3-octadecyl-1H-benzoimidazole-2-thione, 1-octadecyl-1H-benzo[d]imidazole-2-thiol
| Molecular Formula | C25H42N2S |
|---|---|
| Molecular Weight | 402.31 g/mol |
| LogP | 8.96039 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 17 |
| Exact Mass | 402.3069 |
| Heavy Atoms | 28 |
| Complexity | 685.15784 |
Chemical Identifiers
| CAS Number | 537009-89-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2NC1=S |
Product Overview
1-Octadecylbenzimidazole-2-thiol (CAS 537009-89-5), with molecular formula C25H42N2S and molecular weight 402.31 g/mol. IUPAC: 3-octadecyl-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-Octadecylbenzimidazole-2-thiol
Property Insights of 1-Octadecylbenzimidazole-2-thiol
The XLogP value of 8.96039 indicates that 1-Octadecylbenzimidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 1-Octadecylbenzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octadecylbenzimidazole-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octadecylbenzimidazole-2-thiol?
The CAS number of 1-Octadecylbenzimidazole-2-thiol is 537009-89-5.
What is the molecular formula of 1-Octadecylbenzimidazole-2-thiol?
The molecular formula of 1-Octadecylbenzimidazole-2-thiol is C25H42N2S.
What is the molecular weight of 1-Octadecylbenzimidazole-2-thiol?
The molecular weight of 1-Octadecylbenzimidazole-2-thiol is 402.31 g/mol.
Where can I buy 1-Octadecylbenzimidazole-2-thiol?
You can request a quote for 1-Octadecylbenzimidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octadecylbenzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Octadecylbenzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.