(E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid
TL;DR: (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid (CAS 6339-45-3) is a chemical compound with molecular formula C13H9Cl2NO3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid
Also Known As: (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid, (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic, (2E)-2,3-Dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid
| Molecular Formula | C13H9Cl2NO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 3.43282 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.99594 |
| Heavy Atoms | 19 |
| Complexity | 715.74664 |
Chemical Identifiers
| CAS Number | 6339-45-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C(/C(=O)O)\Cl)/Cl |
Product Overview
(E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid (CAS 6339-45-3), with molecular formula C13H9Cl2NO3 and molecular weight 297.00 g/mol. IUPAC: (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid
Property Insights of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid
The XLogP value of 3.43282 indicates that (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid has 2 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 (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid?
The CAS number of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid is 6339-45-3.
What is the molecular formula of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid?
The molecular formula of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid is C13H9Cl2NO3.
What is the molecular weight of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid?
The molecular weight of (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid is 297.00 g/mol.
Where can I buy (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid?
You can request a quote for (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,3-dichloro-4-(2-methyl-1H-indol-3-yl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.