methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate
TL;DR: methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate (CAS 831184-46-4) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]acetate
Also Known As: methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate, methyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]acetate, methyl (4-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}phenyl)acetate
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.0269 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 869.843 |
Chemical Identifiers
| CAS Number | 831184-46-4 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate (CAS 831184-46-4), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: methyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]acetate.
Chemical Property Profile of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate
Property Insights of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate
The XLogP value of 2.0269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate. Following Lipinski's Rule of Five, methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)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-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate?
The CAS number of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate is 831184-46-4.
What is the molecular formula of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate?
The molecular formula of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate is C20H18N2O5.
What is the molecular weight of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate?
The molecular weight of methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate is 366.12 g/mol.
Where can I buy methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate?
You can request a quote for methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)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-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(3-(1,3-dioxoisoindolin-2-yl)propanamido)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.