Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate
TL;DR: Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate (CAS 540791-94-4) is a chemical compound with molecular formula C14H15NO7 and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid
Also Known As: 4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid, DIMETHYL-5-((2-CARBOXYETHYL)CARBONYLAMINO)-ISOPHTHALATE, 3-{[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}propanoic acid, 4-((3,5-Bis(methoxycarbonyl)phenyl)amino)-4-oxobutanoic acid, 4-[3,5-bis(methoxycarbonyl)anilino]-4-oxo-butanoic acid
| Molecular Formula | C14H15NO7 |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 1.0631 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.08484 |
| Heavy Atoms | 22 |
| Complexity | 574.959 |
Chemical Identifiers
| CAS Number | 540791-94-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)OC |
Product Overview
Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate (CAS 540791-94-4), with molecular formula C14H15NO7 and molecular weight 309.08 g/mol. IUPAC: 4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate
Property Insights of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate
The XLogP value of 1.0631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate. Following Lipinski's Rule of Five, Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate has 2 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 Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate?
The CAS number of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate is 540791-94-4.
What is the molecular formula of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate?
The molecular formula of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate is C14H15NO7.
What is the molecular weight of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate?
The molecular weight of Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate is 309.08 g/mol.
Where can I buy Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate?
You can request a quote for Dimethyl-5-((2-carboxyethyl)carbonylamino)-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-carboxyethyl)carbonylamino)-isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.