ChemDiv2_001636
TL;DR: ChemDiv2_001636 (CAS 496975-03-2) 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.
2-(3-methylphenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid
Also Known As: ChemDiv2_001636, 1-allyl-3-oxo-2-(m-tolyl)isoindoline-4-carboxylic acid, 1-allyl-2-(3-methylphenyl)-3-oxo-4-isoindolinecarboxylic acid, 2-(3-methylphenyl)-3-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-4-carboxylic acid, 2-(3-methylphenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.97082 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 810.0121 |
Chemical Identifiers
| CAS Number | 496975-03-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(C3=C(C2=O)C(=CC=C3)C(=O)O)CC=C |
Product Overview
ChemDiv2_001636 (CAS 496975-03-2), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: 2-(3-methylphenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of ChemDiv2_001636
Property Insights of ChemDiv2_001636
The XLogP value of 3.97082 indicates that ChemDiv2_001636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, ChemDiv2_001636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_001636 has 1 hydrogen bond donor(s) and 2 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 ChemDiv2_001636?
The CAS number of ChemDiv2_001636 is 496975-03-2.
What is the molecular formula of ChemDiv2_001636?
The molecular formula of ChemDiv2_001636 is C19H17NO3.
What is the molecular weight of ChemDiv2_001636?
The molecular weight of ChemDiv2_001636 is 307.12 g/mol.
Where can I buy ChemDiv2_001636?
You can request a quote for ChemDiv2_001636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001636?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.