RefChem:349313
TL;DR: RefChem:349313 (CAS 88461-80-7) is a chemical compound with molecular formula C24H31ClN2O5S and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride
Also Known As: 1-Methyl-2-diethylaminomethyl-3-ethoxycarbonyl-5-tosyloxyindole hydrochloride, Indole-3-carboxylic acid, 2-((diethylamino)methyl)-5-hydroxy-1-methyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride, [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride, INDOLE-3-CARBOXYLIC ACID, 2-((DIETHYLAMINO)METHYL)-5-HYDROXY-1-METHYL-, ETHYL ES, RefChem:349313
| Molecular Formula | C24H31ClN2O5S |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 494.1642 |
| Heavy Atoms | 33 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 88461-80-7 |
|---|---|
| SMILES | CC[NH+](CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC.[Cl-] |
| InChIKey | CZZPXWORFZRLMK-UHFFFAOYSA-N |
Product Overview
RefChem:349313 (CAS 88461-80-7), with molecular formula C24H31ClN2O5S and molecular weight 494.16 g/mol. IUPAC: [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride.
Chemical Property Profile of RefChem:349313
Property Insights of RefChem:349313
The XLogP value of -0.14 indicates that RefChem:349313 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349313. Following Lipinski's Rule of Five, RefChem:349313 has 1 hydrogen bond donor(s) and 6 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:349313?
The CAS number of RefChem:349313 is 88461-80-7.
What is the molecular formula of RefChem:349313?
The molecular formula of RefChem:349313 is C24H31ClN2O5S.
What is the molecular weight of RefChem:349313?
The molecular weight of RefChem:349313 is 494.16 g/mol.
Where can I buy RefChem:349313?
You can request a quote for RefChem:349313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349313?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.