ChemDiv1_009379
TL;DR: ChemDiv1_009379 (CAS 405155-90-0) is a chemical compound with molecular formula C25H22BrClN2O3 and molecular weight 512.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-[(3-chloroanilino)methyl]-5-methoxy-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_009379, A2675/0113971, ethyl 6-bromo-2-{[(3-chlorophenyl)amino]methyl}-5-methoxy-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-2-(((3-chlorophenyl)amino)methyl)-5-methoxy-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-2-[(3-chloroanilino)methyl]-5-methoxy-1-phenylindole-3-carboxylate
| Molecular Formula | C25H22BrClN2O3 |
|---|---|
| Molecular Weight | 512.05 g/mol |
| LogP | 6.8438 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.05023 |
| Heavy Atoms | 32 |
| Complexity | 1271.4137 |
Chemical Identifiers
| CAS Number | 405155-90-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl |
Product Overview
ChemDiv1_009379 (CAS 405155-90-0), with molecular formula C25H22BrClN2O3 and molecular weight 512.05 g/mol. IUPAC: ethyl 6-bromo-2-[(3-chloroanilino)methyl]-5-methoxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_009379
Property Insights of ChemDiv1_009379
The XLogP value of 6.8438 indicates that ChemDiv1_009379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, ChemDiv1_009379 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009379 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009379?
The CAS number of ChemDiv1_009379 is 405155-90-0.
What is the molecular formula of ChemDiv1_009379?
The molecular formula of ChemDiv1_009379 is C25H22BrClN2O3.
What is the molecular weight of ChemDiv1_009379?
The molecular weight of ChemDiv1_009379 is 512.05 g/mol.
Where can I buy ChemDiv1_009379?
You can request a quote for ChemDiv1_009379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009379?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.