![2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate structure](/static/products/7716/77168-21-9.webp)
2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate
TL;DR: 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate (CAS 77168-21-9) is a chemical compound with molecular formula C23H22N2O5S3 and molecular weight 502.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate
Also Known As: 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate, 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl, 2-{[1-(4-Methylbenzene-1-sulfonyl)-1H-1,3-benzimidazol-2-yl]sulfanyl}ethyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C23H22N2O5S3 |
|---|---|
| Molecular Weight | 502.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.0691 |
| Heavy Atoms | 33 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 77168-21-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCCOS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | ZJRFZAPUTRXNMR-UHFFFAOYSA-N |
Product Overview
2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate (CAS 77168-21-9), with molecular formula C23H22N2O5S3 and molecular weight 502.07 g/mol. IUPAC: 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate
Property Insights of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate
The XLogP value of 5.2 indicates that 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate?
The CAS number of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate is 77168-21-9.
What is the molecular formula of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate?
The molecular formula of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate is C23H22N2O5S3.
What is the molecular weight of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate?
The molecular weight of 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate is 502.07 g/mol.
Where can I buy 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate?
You can request a quote for 2-[1-(4-methylphenyl)sulfonylbenzimidazol-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-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.