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Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
TL;DR: Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate (CAS 709004-41-1) is a chemical compound with molecular formula C17H14BrNO2 and molecular weight 343.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
Also Known As: methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate, methyl 1-(4-bromobenzyl)-1H-indole-3-carboxylate, 1H-INDOLE-3-CARBOXYLIC ACID,1-[(4-BROMOPHENYL)METH, 1H-INDOLE-3-CARBOXYLICACID,1-[ METHYL]-,METHYLESTER, 1h-indole-3-carboxylic acid,1-[(4-bromophenyl)methyl]-,methyl ester
| Molecular Formula | C17H14BrNO2 |
|---|---|
| Molecular Weight | 343.02 g/mol |
| LogP | 4.2387 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.02078 |
| Heavy Atoms | 21 |
| Complexity | 790.1603 |
Chemical Identifiers
| CAS Number | 709004-41-1 |
|---|---|
| SMILES | COC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Br |
Product Overview
Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate (CAS 709004-41-1), with molecular formula C17H14BrNO2 and molecular weight 343.02 g/mol. IUPAC: methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate.
Chemical Property Profile of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
Property Insights of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
The XLogP value of 4.2387 indicates that Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate?
The CAS number of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate is 709004-41-1.
What is the molecular formula of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate?
The molecular formula of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate is C17H14BrNO2.
What is the molecular weight of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate?
The molecular weight of Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate is 343.02 g/mol.
Where can I buy Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate?
You can request a quote for Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.