RefChem:239081
TL;DR: RefChem:239081 (CAS 76410-20-3) is a chemical compound with molecular formula C23H29ClN2O4 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride
Also Known As: 1H-Indole-3-carboxylic acid, 1,2-dimethyl-5-(2-hydroxy-3-(benzylamino)propoxy)-, ethyl ester, monohydrochloride, benzyl-[3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride, 1H-INDOLE-3-CARBOXYLIC ACID, 1,2-DIMETHYL-5-(2-HYDROXY-3-(BENZYLAMINO)PROPOXY)-,, RefChem:239081
| Molecular Formula | C23H29ClN2O4 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | -0.83 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.18158 |
| Heavy Atoms | 30 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 76410-20-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C)C.[Cl-] |
| InChIKey | JWNFDYWGTZKCQA-UHFFFAOYSA-N |
Product Overview
RefChem:239081 (CAS 76410-20-3), with molecular formula C23H29ClN2O4 and molecular weight 432.18 g/mol. IUPAC: benzyl-[3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride.
Chemical Property Profile of RefChem:239081
Property Insights of RefChem:239081
The XLogP value of -0.83 indicates that RefChem:239081 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:239081. Following Lipinski's Rule of Five, RefChem:239081 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:239081?
The CAS number of RefChem:239081 is 76410-20-3.
What is the molecular formula of RefChem:239081?
The molecular formula of RefChem:239081 is C23H29ClN2O4.
What is the molecular weight of RefChem:239081?
The molecular weight of RefChem:239081 is 432.18 g/mol.
Where can I buy RefChem:239081?
You can request a quote for RefChem:239081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239081?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.