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Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate
TL;DR: Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate (CAS 5739-65-1) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[3-(dimethylamino)benzoyl]amino]benzene-1,3-dicarboxylate
Also Known As: BIM-0049218.P001, DIMETHYL 5-{[3-(DIMETHYLAMINO)BENZOYL]AMINO}ISOPHTHALATE, AB01329139-02, dimethyl 5-[[3-(dimethylamino)benzoyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-({[3-(dimethylamino)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 2.5781 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 811.3232 |
Chemical Identifiers
| CAS Number | 5739-65-1 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate (CAS 5739-65-1), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: dimethyl 5-[[3-(dimethylamino)benzoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate
Property Insights of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate
The XLogP value of 2.5781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate 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 Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate is 5739-65-1.
What is the molecular formula of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate is C19H20N2O5.
What is the molecular weight of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate is 356.14 g/mol.
Where can I buy Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}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-(dimethylamino)benzoyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[3-(dimethylamino)benzoyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.