RefChem:349319
TL;DR: RefChem:349319 (CAS 88461-83-0) is a chemical compound with molecular formula C29H31ClN2O6S and molecular weight 570.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride
Also Known As: Indole-3-carboxylic acid, 5-hydroxy-2-(morpholinomethyl)-1-phenyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride, ETHYL5-(4-METHYLPHENYL)SULFONYLOXY-2-(MORPHOLIN-4-IUM-4-YLMETHYL)-1-PHENYLINDOLE-3-CARBOXYLATE CHLORIDE, INDOLE-3-CARBOXYLIC ACID, 5-HYDROXY-2-(MORPHOLINOMETHYL)-1-PHENYL-, ETHYL ESTER,, ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride, RefChem:349319
| Molecular Formula | C29H31ClN2O6S |
|---|---|
| Molecular Weight | 570.16 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 570.1591 |
| Heavy Atoms | 39 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 88461-83-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCOCC5.[Cl-] |
| InChIKey | HTQDXKXZPYAWRA-UHFFFAOYSA-N |
Product Overview
RefChem:349319 (CAS 88461-83-0), with molecular formula C29H31ClN2O6S and molecular weight 570.16 g/mol. IUPAC: ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride.
Chemical Property Profile of RefChem:349319
Property Insights of RefChem:349319
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349319. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349319. Following Lipinski's Rule of Five, RefChem:349319 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:349319?
The CAS number of RefChem:349319 is 88461-83-0.
What is the molecular formula of RefChem:349319?
The molecular formula of RefChem:349319 is C29H31ClN2O6S.
What is the molecular weight of RefChem:349319?
The molecular weight of RefChem:349319 is 570.16 g/mol.
Where can I buy RefChem:349319?
You can request a quote for RefChem:349319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349319?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.