RefChem:239102
TL;DR: RefChem:239102 (CAS 76410-22-5) is a chemical compound with molecular formula C24H31ClN2O4 and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride
Also Known As: 1H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(isopropylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochloride, [3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride, 1H-INDOLE-3-CARBOXYLIC ACID, 5-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-2-METHYL-1-, RefChem:239102
| Molecular Formula | C24H31ClN2O4 |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.19724 |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 76410-22-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]C(C)C)O)C3=CC=CC=C3)C.[Cl-] |
| InChIKey | GJDHLWHZNOOHFQ-UHFFFAOYSA-N |
Product Overview
RefChem:239102 (CAS 76410-22-5), with molecular formula C24H31ClN2O4 and molecular weight 446.20 g/mol. IUPAC: [3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:239102
Property Insights of RefChem:239102
The XLogP value of -0.17 indicates that RefChem:239102 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239102. Following Lipinski's Rule of Five, RefChem:239102 has 2 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:239102?
The CAS number of RefChem:239102 is 76410-22-5.
What is the molecular formula of RefChem:239102?
The molecular formula of RefChem:239102 is C24H31ClN2O4.
What is the molecular weight of RefChem:239102?
The molecular weight of RefChem:239102 is 446.20 g/mol.
Where can I buy RefChem:239102?
You can request a quote for RefChem:239102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239102?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.