ChemDiv1_004467
TL;DR: ChemDiv1_004467 (CAS 312945-80-5) is a chemical compound with molecular formula C28H23NO5 and molecular weight 453.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate
Also Known As: ChemDiv1_004467, ethyl 1-(4-methoxyphenyl)-2-methyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate, ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate, ethyl 1-(4-methoxyphenyl)-2-methyl-5-((3-phenylpropioloyl)oxy)-1H-indole-3-carboxylate, ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenyl-2-propynoyl)oxy]-1H-indole-3-carboxylate
| Molecular Formula | C28H23NO5 |
|---|---|
| Molecular Weight | 453.16 g/mol |
| LogP | 5.08132 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.15762 |
| Heavy Atoms | 34 |
| Complexity | 1406.7015 |
Chemical Identifiers
| CAS Number | 312945-80-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C#CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C |
Product Overview
ChemDiv1_004467 (CAS 312945-80-5), with molecular formula C28H23NO5 and molecular weight 453.16 g/mol. IUPAC: ethyl 1-(4-methoxyphenyl)-2-methyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_004467
Property Insights of ChemDiv1_004467
The XLogP value of 5.08132 indicates that ChemDiv1_004467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004467. Following Lipinski's Rule of Five, ChemDiv1_004467 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004467?
The CAS number of ChemDiv1_004467 is 312945-80-5.
What is the molecular formula of ChemDiv1_004467?
The molecular formula of ChemDiv1_004467 is C28H23NO5.
What is the molecular weight of ChemDiv1_004467?
The molecular weight of ChemDiv1_004467 is 453.16 g/mol.
Where can I buy ChemDiv1_004467?
You can request a quote for ChemDiv1_004467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004467?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.