methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate
TL;DR: methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate (CAS 690677-98-6) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
Also Known As: methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate, methyl 4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate, methyl 4-{[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoate
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.9513 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 902.1825 |
Chemical Identifiers
| CAS Number | 690677-98-6 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate (CAS 690677-98-6), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: methyl 4-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate
Property Insights of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate
The XLogP value of 1.9513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate has 1 hydrogen bond donor(s) and 5 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 methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
The CAS number of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is 690677-98-6.
What is the molecular formula of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
The molecular formula of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is C18H14N2O5.
What is the molecular weight of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
The molecular weight of methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is 338.09 g/mol.
Where can I buy methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
You can request a quote for methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-methyl-1,3-dioxoisoindoline-5-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.