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[1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid
TL;DR: [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid (CAS 893768-44-0) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-oxoacetic acid
Also Known As: [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid|A4079/0173822|2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-oxoacetic acid|2-{1-[(2-chlorophenyl)methyl]indol-3-yl}-2-oxoacetic acid|1H-Indole-3-acetic acid, 1-[(2-chlorophenyl)methyl]-.alpha.-oxo-|2-{1-[(2-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}-2-OXOACETIC ACID|VQNPSCYJZXDHIM-UHFFFAOYSA-N
| Molecular Formula | C17H12ClNO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.6103 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05057 |
| Heavy Atoms | 22 |
| Complexity | 882.49634 |
Chemical Identifiers
| CAS Number | 893768-44-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)O)Cl |
Product Overview
[1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid (CAS 893768-44-0), with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol. IUPAC: 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-oxoacetic acid.
Chemical Property Profile of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid
Property Insights of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid
The XLogP value of 3.6103 indicates that [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid has 1 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 [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid?
The CAS number of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid is 893768-44-0.
What is the molecular formula of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid?
The molecular formula of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid is C17H12ClNO3.
What is the molecular weight of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid?
The molecular weight of [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid is 313.05 g/mol.
Where can I buy [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid?
You can request a quote for [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [1-(2-chlorobenzyl)-1H-indol-3-yl](oxo)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.