Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate
TL;DR: Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate (CAS 848065-95-2) 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.
methyl 4-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoylamino]benzoate
Also Known As: Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate, Benzoic acid, 4-[[3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxopropyl]amino]-, methyl ester, methyl 4-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoylamino]benzoate, methyl 4-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamido]benzoate, N/A
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 1.753 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 742.6391 |
Chemical Identifiers
| CAS Number | 848065-95-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3CC=CCC3C2=O |
Product Overview
Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate (CAS 848065-95-2), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: methyl 4-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoylamino]benzoate.
Chemical Property Profile of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate
Property Insights of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate
The XLogP value of 1.753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)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-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate?
The CAS number of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate is 848065-95-2.
What is the molecular formula of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate?
The molecular formula of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate is C19H20N2O5.
What is the molecular weight of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate?
The molecular weight of Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate is 356.14 g/mol.
Where can I buy Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate?
You can request a quote for Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)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-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.