4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid
TL;DR: 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid (CAS 57859-41-3) is a chemical compound with molecular formula C17H15NO7 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dimethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
Also Known As: 4-((2,4-dimethoxyphenyl)carbamoyl)isophthalic acid, BIM-0030823.P001, 4-[(2,4-dimethoxyphenyl)carbamoyl]isophthalic acid, 4-[(2,4-dimethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid, F1018-0348
| Molecular Formula | C17H15NO7 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.08484 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 57859-41-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O)OC |
| InChIKey | BLMGHTRZSFKFDP-UHFFFAOYSA-N |
Product Overview
4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid (CAS 57859-41-3), with molecular formula C17H15NO7 and molecular weight 345.08 g/mol. IUPAC: 4-[(2,4-dimethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid
Property Insights of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid. Following Lipinski's Rule of Five, 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid has 3 hydrogen bond donor(s) and 7 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 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid?
The CAS number of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid is 57859-41-3.
What is the molecular formula of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid?
The molecular formula of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid is C17H15NO7.
What is the molecular weight of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid?
The molecular weight of 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid is 345.08 g/mol.
Where can I buy 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid?
You can request a quote for 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.