Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate
TL;DR: Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate (CAS 95219-22-0) is a chemical compound with molecular formula C19H18N2O6 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[3-(3-aminophenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate
Also Known As: DIMETHYL 5-(2-(3-AMINOBENZOYL)ACETAMIDO)ISOPHTHALATE, 1,3-dimethyl 5-[3-(3-aminophenyl)-3-oxopropanamido]benzene-1,3-dicarboxylate, dimethyl 5-[[3-(3-aminophenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[3-(3-aminophenyl)-3-oxopropanoyl]amino}benzene-1,3-dicarboxylate, 667-090-7
| Molecular Formula | C19H18N2O6 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.1165 |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 95219-22-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC(=O)C2=CC(=CC=C2)N)C(=O)OC |
| InChIKey | BYMQMHTUZKTSSK-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate (CAS 95219-22-0), with molecular formula C19H18N2O6 and molecular weight 370.12 g/mol. IUPAC: dimethyl 5-[[3-(3-aminophenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate
Property Insights of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate has 2 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 Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate?
The CAS number of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate is 95219-22-0.
What is the molecular formula of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate?
The molecular formula of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate is C19H18N2O6.
What is the molecular weight of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate?
The molecular weight of Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate is 370.12 g/mol.
Where can I buy Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate?
You can request a quote for Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(2-(3-aminobenzoyl)acetamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.