2-(1-Benzylindol-3-yl)butanedioic acid
TL;DR: 2-(1-Benzylindol-3-yl)butanedioic acid (CAS 95127-39-2) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylindol-3-yl)butanedioic acid
Also Known As: 2-(1-benzylindol-3-yl)butanedioic acid, 2-(1-Benzyl-1H-indol-3-yl)-succinic acid, BAS 04056730, 2-(1-benzyl-1H-indol-3-yl)succinic acid, 2-(1-benzyl-1H-indol-3-yl)butanedioic acid
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 95127-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(CC(=O)O)C(=O)O |
| InChIKey | HBQIJLDPXWEWFR-UHFFFAOYSA-N |
Product Overview
2-(1-Benzylindol-3-yl)butanedioic acid (CAS 95127-39-2), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 2-(1-benzylindol-3-yl)butanedioic acid.
Chemical Property Profile of 2-(1-Benzylindol-3-yl)butanedioic acid
Property Insights of 2-(1-Benzylindol-3-yl)butanedioic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Benzylindol-3-yl)butanedioic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzylindol-3-yl)butanedioic acid. Following Lipinski's Rule of Five, 2-(1-Benzylindol-3-yl)butanedioic acid has 2 hydrogen bond donor(s) and 4 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 2-(1-Benzylindol-3-yl)butanedioic acid?
The CAS number of 2-(1-Benzylindol-3-yl)butanedioic acid is 95127-39-2.
What is the molecular formula of 2-(1-Benzylindol-3-yl)butanedioic acid?
The molecular formula of 2-(1-Benzylindol-3-yl)butanedioic acid is C19H17NO4.
What is the molecular weight of 2-(1-Benzylindol-3-yl)butanedioic acid?
The molecular weight of 2-(1-Benzylindol-3-yl)butanedioic acid is 323.12 g/mol.
Where can I buy 2-(1-Benzylindol-3-yl)butanedioic acid?
You can request a quote for 2-(1-Benzylindol-3-yl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Benzylindol-3-yl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzylindol-3-yl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.