dimethyl 5-(3-isobutyramidobenzamido)isophthalate
TL;DR: dimethyl 5-(3-isobutyramidobenzamido)isophthalate (CAS 599189-40-9) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-isobutyramidobenzamido)isophthalate, DIMETHYL 5-{[3-(ISOBUTYRYLAMINO)BENZOYL]AMINO}ISOPHTHALATE, dimethyl 5-[({3-[(2-methylpropanoyl)amino]phenyl}carbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-{[3-(2-methylpropanoylamino)phenyl]carbonylamino} benzoate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 3.1066 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 917.68756 |
Chemical Identifiers
| CAS Number | 599189-40-9 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-(3-isobutyramidobenzamido)isophthalate (CAS 599189-40-9), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: dimethyl 5-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(3-isobutyramidobenzamido)isophthalate
Property Insights of dimethyl 5-(3-isobutyramidobenzamido)isophthalate
The XLogP value of 3.1066 indicates that dimethyl 5-(3-isobutyramidobenzamido)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(3-isobutyramidobenzamido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(3-isobutyramidobenzamido)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-(3-isobutyramidobenzamido)isophthalate?
The CAS number of dimethyl 5-(3-isobutyramidobenzamido)isophthalate is 599189-40-9.
What is the molecular formula of dimethyl 5-(3-isobutyramidobenzamido)isophthalate?
The molecular formula of dimethyl 5-(3-isobutyramidobenzamido)isophthalate is C21H22N2O6.
What is the molecular weight of dimethyl 5-(3-isobutyramidobenzamido)isophthalate?
The molecular weight of dimethyl 5-(3-isobutyramidobenzamido)isophthalate is 398.15 g/mol.
Where can I buy dimethyl 5-(3-isobutyramidobenzamido)isophthalate?
You can request a quote for dimethyl 5-(3-isobutyramidobenzamido)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-(3-isobutyramidobenzamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(3-isobutyramidobenzamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.