RefChem:238945
TL;DR: RefChem:238945 (CAS 76410-35-0) is a chemical compound with molecular formula C26H35ClN2O6 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)ethyl-[3-(2-ethoxycarbonyl-1,3-dimethylindol-4-yl)oxy-2-hydroxypropyl]azanium chloride
Also Known As: 1H-Indole-2-carboxylic acid, 1,3-dimethyl-4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, ethyl ester, monohydrochloride, 2-(3,4-dimethoxyphenyl)ethyl-[3-(2-ethoxycarbonyl-1,3-dimethylindol-4-yl)oxy-2-hydroxypropyl]azanium chloride, 1H-INDOLE-2-CARBOXYLIC ACID, 1,3-DIMETHYL-4-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AM, RefChem:238945
| Molecular Formula | C26H35ClN2O6 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 506.21835 |
| Heavy Atoms | 35 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 76410-35-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1C)C=CC=C2OCC(C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O)C.[Cl-] |
| InChIKey | OSEPAGWWYUVVDO-UHFFFAOYSA-N |
Product Overview
RefChem:238945 (CAS 76410-35-0), with molecular formula C26H35ClN2O6 and molecular weight 506.22 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)ethyl-[3-(2-ethoxycarbonyl-1,3-dimethylindol-4-yl)oxy-2-hydroxypropyl]azanium chloride.
Chemical Property Profile of RefChem:238945
Property Insights of RefChem:238945
The XLogP value of -0.77 indicates that RefChem:238945 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:238945. Following Lipinski's Rule of Five, RefChem:238945 has 2 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:238945?
The CAS number of RefChem:238945 is 76410-35-0.
What is the molecular formula of RefChem:238945?
The molecular formula of RefChem:238945 is C26H35ClN2O6.
What is the molecular weight of RefChem:238945?
The molecular weight of RefChem:238945 is 506.22 g/mol.
Where can I buy RefChem:238945?
You can request a quote for RefChem:238945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:238945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:238945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.