methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate
TL;DR: methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate (CAS 712335-10-9) is a chemical compound with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]acetate
Also Known As: methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate, methyl 2-[4-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]acetate, Methyl 2-[4-[(2-benzyl-1,3-dioxo-isoindole-5-carbonyl)amino]phenyl]acetate, methyl (4-{[(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}phenyl)acetate
| Molecular Formula | C25H20N2O5 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.4506 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1372 |
| Heavy Atoms | 32 |
| Complexity | 1202.7617 |
Chemical Identifiers
| CAS Number | 712335-10-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4 |
Product Overview
methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate (CAS 712335-10-9), with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol. IUPAC: methyl 2-[4-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]acetate.
Chemical Property Profile of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate
Property Insights of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate
The XLogP value of 3.4506 indicates that methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate. Following Lipinski's Rule of Five, methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate 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 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate?
The CAS number of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate is 712335-10-9.
What is the molecular formula of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate?
The molecular formula of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate is C25H20N2O5.
What is the molecular weight of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate?
The molecular weight of methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate is 428.14 g/mol.
Where can I buy methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate?
You can request a quote for methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.