Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-
TL;DR: Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- (CAS 39985-88-1) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid
Also Known As: BENZOIC ACID, 4-(1,3-DIOXO-1,3,4,5,6,7-HEXAHYDRO-2H-ISOINDOL-2-YL)-, 4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid, 4-(1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)benzoic acid, 4-(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzoic acid, 5-21-10-00129 (Beilstein Handbook Reference)
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 39985-88-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O |
| InChIKey | DVIKCJFKHIFINX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- (CAS 39985-88-1), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: 4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-
Property Insights of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- has 1 hydrogen bond donor(s) and 4 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 Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-?
The CAS number of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- is 39985-88-1.
What is the molecular formula of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-?
The molecular formula of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- is C15H13NO4.
What is the molecular weight of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-?
The molecular weight of Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- is 271.08 g/mol.
Where can I buy Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-?
You can request a quote for Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.