RefChem:79710
TL;DR: RefChem:79710 (CAS 68239-66-7) is a chemical compound with molecular formula C15H18Cl2N2O5S and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonate
Also Known As: 1H-Benzimidazolium, 1-(2-(acetyloxy)-3-sulfopropyl)-5,6-dichloro-3-ethyl-2-methyl-, inner salt, 1-Ethyl-2-methyl-3-(2'-acetoxy-3'-sulfopropyl)-5,6-dichlorobenzimidazolium hydroxide inner salt, 1H-Benzimidazolium, 3-(2-(acetyloxy)-3-sulfopropyl)-5,6-dichloro-1-ethyl-2-methyl-, inner salt, 1H-Benzimidazolium, 3-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-1-ethyl-2-methyl-, inner salt, 1H-Benzimidazolium, 1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-2-methyl-, inner salt
| Molecular Formula | C15H18Cl2N2O5S |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.03134 |
| Heavy Atoms | 25 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 68239-66-7 |
|---|---|
| SMILES | CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)[O-])OC(=O)C)C |
| InChIKey | YDAYQPHRGVZIAT-UHFFFAOYSA-N |
Product Overview
RefChem:79710 (CAS 68239-66-7), with molecular formula C15H18Cl2N2O5S and molecular weight 408.03 g/mol. IUPAC: 2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of RefChem:79710
Property Insights of RefChem:79710
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79710. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79710. Following Lipinski's Rule of Five, RefChem:79710 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 RefChem:79710?
The CAS number of RefChem:79710 is 68239-66-7.
What is the molecular formula of RefChem:79710?
The molecular formula of RefChem:79710 is C15H18Cl2N2O5S.
What is the molecular weight of RefChem:79710?
The molecular weight of RefChem:79710 is 408.03 g/mol.
Where can I buy RefChem:79710?
You can request a quote for RefChem:79710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79710?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.