ChemDiv1_011171
TL;DR: ChemDiv1_011171 (CAS 341492-65-7) is a chemical compound with molecular formula C24H28N2O6S and molecular weight 472.17 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-ylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_011171, A1468/0064714, ethyl 1-methyl-2-(morpholinomethyl)-5-(tosyloxy)-1H-indole-3-carboxylate, ethyl 1-methyl-5-{[(4-methylphenyl)sulfonyl]oxy}-2-(morpholin-4-ylmethyl)-1h-indole-3-carboxylate, ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate
| Molecular Formula | C24H28N2O6S |
|---|---|
| Molecular Weight | 472.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.1668 |
| Heavy Atoms | 33 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 341492-65-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)CN4CCOCC4 |
| InChIKey | YNOXCAOYURRURJ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_011171 (CAS 341492-65-7), with molecular formula C24H28N2O6S and molecular weight 472.17 g/mol. IUPAC: ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_011171
Property Insights of ChemDiv1_011171
The XLogP value of 3.2 indicates that ChemDiv1_011171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011171. Following Lipinski's Rule of Five, ChemDiv1_011171 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_011171?
The CAS number of ChemDiv1_011171 is 341492-65-7.
What is the molecular formula of ChemDiv1_011171?
The molecular formula of ChemDiv1_011171 is C24H28N2O6S.
What is the molecular weight of ChemDiv1_011171?
The molecular weight of ChemDiv1_011171 is 472.17 g/mol.
Where can I buy ChemDiv1_011171?
You can request a quote for ChemDiv1_011171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011171?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.