RefChem:349317
TL;DR: RefChem:349317 (CAS 88461-82-9) is a chemical compound with molecular formula C24H29ClN2O6S and molecular weight 508.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride
Also Known As: Indole-3-carboxylic acid, 5-hydroxy-1-methyl-2-(morpholinomethyl)-, ethyl ester, p-toluenesulfonate (ester), hydrochloride, ETHYL1-METHYL-5-(4-METHYLPHENYL)SULFONYLOXY-2-(MORPHOLIN-4-IUM-4-YLMETHYL)INDOLE-3-CARBOXYLATE CHLORIDE, INDOLE-3-CARBOXYLIC ACID, 5-HYDROXY-1-METHYL-2-(MORPHOLINOMETHYL)-, ETHYL ESTER,, ETHYL 1-METHYL-5-(4-METHYLPHENYL)SULFONYLOXY-2-(1-OXA-4-AZONIACYCLOHEX-4-YLMETHYL)INDOLE-3-CARBOXYLATE CHLORIDE, ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride
| Molecular Formula | C24H29ClN2O6S |
|---|---|
| Molecular Weight | 508.14 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.1435 |
| Heavy Atoms | 34 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 88461-82-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)C[NH+]4CCOCC4.[Cl-] |
| InChIKey | CRQSDZTWINWANB-UHFFFAOYSA-N |
Product Overview
RefChem:349317 (CAS 88461-82-9), with molecular formula C24H29ClN2O6S and molecular weight 508.14 g/mol. IUPAC: ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride.
Chemical Property Profile of RefChem:349317
Property Insights of RefChem:349317
The XLogP value of -1.15 indicates that RefChem:349317 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349317. Following Lipinski's Rule of Five, RefChem:349317 has 1 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 RefChem:349317?
The CAS number of RefChem:349317 is 88461-82-9.
What is the molecular formula of RefChem:349317?
The molecular formula of RefChem:349317 is C24H29ClN2O6S.
What is the molecular weight of RefChem:349317?
The molecular weight of RefChem:349317 is 508.14 g/mol.
Where can I buy RefChem:349317?
You can request a quote for RefChem:349317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.