![3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid structure](/static/products/1307/130798-51-5.webp)
3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
TL;DR: 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid (CAS 130798-51-5) is a chemical compound with molecular formula C18H11Cl2NO4 and molecular weight 375.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
Also Known As: (Z)-MDL 105519, Mdl 105519, mdl-105,519, MDL 105,519, 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
| Molecular Formula | C18H11Cl2NO4 |
|---|---|
| Molecular Weight | 375.01 g/mol |
| LogP | 4.7981 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0065 |
| Heavy Atoms | 25 |
| Complexity | 1022.4821 |
Chemical Identifiers
| CAS Number | 130798-51-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)/C(=O)O |
Product Overview
3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid (CAS 130798-51-5), with molecular formula C18H11Cl2NO4 and molecular weight 375.01 g/mol. IUPAC: 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
Property Insights of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
The XLogP value of 4.7981 indicates that 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid has 3 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 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid?
The CAS number of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid is 130798-51-5.
What is the molecular formula of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid?
The molecular formula of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid is C18H11Cl2NO4.
What is the molecular weight of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid?
The molecular weight of 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid is 375.01 g/mol.
Where can I buy 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid?
You can request a quote for 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.