![2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate structure](/static/products/7716/77168-18-4.webp)
2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
TL;DR: 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate (CAS 77168-18-4) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylbenzimidazol-2-yl)sulfanylethyl methanesulfonate
Also Known As: 2-(1-benzylbenzimidazol-2-yl)sulfanylethyl methanesulfonate, 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate, 2-[(1-Benzyl-1H-1,3-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 77168-18-4 |
|---|---|
| SMILES | CS(=O)(=O)OCCSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 |
| InChIKey | LGWQPGHRROTREB-UHFFFAOYSA-N |
Product Overview
2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate (CAS 77168-18-4), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: 2-(1-benzylbenzimidazol-2-yl)sulfanylethyl methanesulfonate.
Chemical Property Profile of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
Property Insights of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
The XLogP value of 3.3 indicates that 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate. Following Lipinski's Rule of Five, 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate has 0 hydrogen bond donor(s) and 5 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-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate?
The CAS number of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate is 77168-18-4.
What is the molecular formula of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate?
The molecular formula of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate is C17H18N2O3S2.
What is the molecular weight of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate?
The molecular weight of 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate is 362.08 g/mol.
Where can I buy 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate?
You can request a quote for 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.