3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid
TL;DR: 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid (CAS 5604-83-1) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dihydroisoindol-2-yl)benzoic acid
Also Known As: norgestrel, 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid, 3-(Isoindolin-2-yl)benzoic acid, 3-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 3-(1,3-dihydroisoindol-2-yl)benzoic acid
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.905 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 581.9475 |
Chemical Identifiers
| CAS Number | 5604-83-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2CN1C3=CC=CC(=C3)C(=O)O |
Product Overview
3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid (CAS 5604-83-1), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 3-(1,3-dihydroisoindol-2-yl)benzoic acid.
Chemical Property Profile of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid
Property Insights of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid
The XLogP value of 2.905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid 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 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid?
The CAS number of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid is 5604-83-1.
What is the molecular formula of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid?
The molecular formula of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid is C15H13NO2.
What is the molecular weight of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid?
The molecular weight of 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid is 239.09 g/mol.
Where can I buy 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid?
You can request a quote for 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.