RefChem:239101
TL;DR: RefChem:239101 (CAS 76410-21-4) is a chemical compound with molecular formula C28H31ClN2O4 and molecular weight 494.19724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride
Also Known As: 1H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochloride, benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride, 1H-INDOLE-3-CARBOXYLIC ACID, 5-(2-HYDROXY-3-(BENZYLAMINO)PROPOXY)-2-METHYL-1-PHE
Technical Specifications
| Molecular Formula | C28H31ClN2O4 |
| Molecular Weight | 494.19724 g/mol |
| XLogP | 0.62 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.19724 Da |
| Heavy Atoms | 35 |
| Complexity | 620.0 |
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C4=CC=CC=C4)C.[Cl-] |
| InChIKey | VVKJDEUSWNRZOX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239101
Property Insights of RefChem:239101
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239101. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239101. Following Lipinski's Rule of Five, RefChem:239101 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
What is the CAS number of RefChem:239101?
The CAS number of RefChem:239101 is 76410-21-4.
What is the molecular formula of RefChem:239101?
The molecular formula of RefChem:239101 is C28H31ClN2O4.
What is the molecular weight of RefChem:239101?
The molecular weight of RefChem:239101 is 494.19724 g/mol.
Where can I buy RefChem:239101?
You can request a quote for RefChem:239101 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239101?
Yes, CoreyChem provides custom synthesis services for RefChem:239101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.