3-Amino-2,3-dihydrobenzoic acid
TL;DR: 3-Amino-2,3-dihydrobenzoic acid (CAS 59556-18-2) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-aminocyclohexa-1,3-diene-1-carboxylic acid
Also Known As: gabaculine, DL-Gabaculine, Gabaculin, DL-Gabacline, 3-Amino-2,3-dihydrobenzoic acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.06332 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 Da |
| Heavy Atoms | 10 |
| Complexity | 206.0 |
| SMILES | C1C(C=CC=C1C(=O)O)N |
| InChIKey | KFNRJXCQEJIBER-UHFFFAOYSA-N |
Product Description
Applications: 3-Amino-2,3-dihydrobenzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Amino-2,3-dihydrobenzoic acid (CAS 59556-18-2) is a pharmaceutical intermediate with the molecular formula C7H9NO2 and a molecular weight of 139.06 g/mol. Synonyms include gabaculine and DL-Gabaculine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Amino-2,3-dihydrobenzoic acid
Property Insights of 3-Amino-2,3-dihydrobenzoic acid
The XLogP value of -2.2 indicates that 3-Amino-2,3-dihydrobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2,3-dihydrobenzoic acid. Following Lipinski's Rule of Five, 3-Amino-2,3-dihydrobenzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-2,3-dihydrobenzoic acid?
The CAS number of 3-Amino-2,3-dihydrobenzoic acid is 59556-18-2.
What is the molecular formula of 3-Amino-2,3-dihydrobenzoic acid?
The molecular formula of 3-Amino-2,3-dihydrobenzoic acid is C7H9NO2.
What is the molecular weight of 3-Amino-2,3-dihydrobenzoic acid?
The molecular weight of 3-Amino-2,3-dihydrobenzoic acid is 139.06332 g/mol.
What are the applications of 3-Amino-2,3-dihydrobenzoic acid?
3-Amino-2,3-dihydrobenzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 3-Amino-2,3-dihydrobenzoic acid?
You can request a quote for 3-Amino-2,3-dihydrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2,3-dihydrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2,3-dihydrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.