1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester
TL;DR: 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester (CAS 445265-36-1) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-2-phenyl-1-prop-2-enyl-1H-isoindole-4-carboxylate
Also Known As: AM-760/40805219, methyl 1-allyl-3-oxo-2-phenyl-4-isoindolinecarboxylate, methyl 1-allyl-3-oxo-2-phenylisoindoline-4-carboxylate, methyl 3-oxo-2-phenyl-1-prop-2-enyl-1H-isoindole-4-carboxylate, 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.7508 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 767.43915 |
Chemical Identifiers
| CAS Number | 445265-36-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1C(=O)N(C2CC=C)C3=CC=CC=C3 |
Product Overview
1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester (CAS 445265-36-1), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: methyl 3-oxo-2-phenyl-1-prop-2-enyl-1H-isoindole-4-carboxylate.
Chemical Property Profile of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester
Property Insights of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester
The XLogP value of 3.7508 indicates that 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 3 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 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester?
The CAS number of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester is 445265-36-1.
What is the molecular formula of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester?
The molecular formula of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester is C19H17NO3.
What is the molecular weight of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester?
The molecular weight of 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester is 307.12 g/mol.
Where can I buy 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester?
You can request a quote for 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.