加巴枯林
TL;DR: 加巴枯林 (CAS 59556-18-2) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
加巴枯林
5-aminocyclohexa-1,3-diene-1-carboxylic acid
Also Known As: gabaculine, DL-Gabaculine, Gabaculin, DL-Gabacline, 3-Amino-2,3-dihydrobenzoic acid
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 59556-18-2 |
|---|---|
| SMILES | C1C(C=CC=C1C(=O)O)N |
| InChIKey | KFNRJXCQEJIBER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
加巴枯林 (CAS 59556-18-2), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 5-aminocyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of 加巴枯林
Property Insights of 加巴枯林
The XLogP value of -2.2 indicates that 加巴枯林 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 加巴枯林. Following Lipinski's Rule of Five, 5-氨基环己-1,3-二烯甲酸 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
Frequently Asked Questions
What is the CAS number of 5-氨基环己-1,3-二烯甲酸?
The CAS number of 5-氨基环己-1,3-二烯甲酸 is 59556-18-2.
What is the molecular formula of 5-氨基环己-1,3-二烯甲酸?
The molecular formula of 5-氨基环己-1,3-二烯甲酸 is C7H9NO2.
What is the molecular weight of 5-氨基环己-1,3-二烯甲酸?
The molecular weight of 5-氨基环己-1,3-二烯甲酸 is 139.06 g/mol.
Where can I buy 5-氨基环己-1,3-二烯甲酸?
You can request a quote for 5-氨基环己-1,3-二烯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基环己-1,3-二烯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基环己-1,3-二烯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.