ChemDiv3_002734
TL;DR: ChemDiv3_002734 (CAS 385786-67-4) is a chemical compound with molecular formula C19H14O6 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
Also Known As: ChemDiv3_002734, (E)-2-(3,4-dimethoxybenzylidene)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid, (2E)-2-(3,4-dimethoxybenzylidene)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid, (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
| Molecular Formula | C19H14O6 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.07904 |
| Heavy Atoms | 25 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 385786-67-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)OC |
| InChIKey | YGGQSFAKSUYDMP-VGOFMYFVSA-N |
Product Overview
ChemDiv3_002734 (CAS 385786-67-4), with molecular formula C19H14O6 and molecular weight 338.08 g/mol. IUPAC: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid.
Chemical Property Profile of ChemDiv3_002734
Property Insights of ChemDiv3_002734
The XLogP value of 3.0 indicates that ChemDiv3_002734 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002734. Following Lipinski's Rule of Five, ChemDiv3_002734 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_002734?
The CAS number of ChemDiv3_002734 is 385786-67-4.
What is the molecular formula of ChemDiv3_002734?
The molecular formula of ChemDiv3_002734 is C19H14O6.
What is the molecular weight of ChemDiv3_002734?
The molecular weight of ChemDiv3_002734 is 338.08 g/mol.
Where can I buy ChemDiv3_002734?
You can request a quote for ChemDiv3_002734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002734?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.