2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate
TL;DR: 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate (CAS 77168-17-3) 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-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate
Also Known As: 2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate, 2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesu, 2-[(1-Methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]ethyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 77168-17-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=NC3=CC=CC=C3N2C |
| InChIKey | WPNNGTAVDUWOPX-UHFFFAOYSA-N |
Product Overview
2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate (CAS 77168-17-3), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: 2-(1-methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate
Property Insights of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate
The XLogP value of 3.6 indicates that 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate 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-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate 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-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate?
The CAS number of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate is 77168-17-3.
What is the molecular formula of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate is C17H18N2O3S2.
What is the molecular weight of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate is 362.08 g/mol.
Where can I buy 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.