N-双环(3.1.0)己-3-基邻氨基苯甲酸
TL;DR: N-双环(3.1.0)己-3-基邻氨基苯甲酸 (CAS 79531-64-9) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-双环(3.1.0)己-3-基邻氨基苯甲酸
2-(3-bicyclo[3.1.0]hexanylamino)benzoic acid
Also Known As: N-Bicyclo(3.1.0)hex-3-yl-anthranilic acid, ANTHRANILIC ACID, N-BICYCLO(3.1.0)HEX-3-YL-, 2-(3-bicyclo[3.1.0]hexanylamino)benzoic acid, N-BICYCLO(3.1.0)HEX-3-YLANTHRANILIC ACID, 2-[(Bicyclo[3.1.0]hexan-3-yl)amino]benzoic acid
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 79531-64-9 |
|---|---|
| SMILES | C1C2C1CC(C2)NC3=CC=CC=C3C(=O)O |
| InChIKey | OLRMMEZILYICNH-UHFFFAOYSA-N |
Product Overview
N-双环(3.1.0)己-3-基邻氨基苯甲酸 (CAS 79531-64-9), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 2-(3-bicyclo[3.1.0]hexanylamino)benzoic acid.
Chemical Property Profile of N-双环(3.1.0)己-3-基邻氨基苯甲酸
Property Insights of N-双环(3.1.0)己-3-基邻氨基苯甲酸
The XLogP value of 3.4 indicates that N-双环(3.1.0)己-3-基邻氨基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, N-双环(3.1.0)己-3-基邻氨基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-双环(3.1.0)己-3-基邻氨基苯甲酸 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 N-双环(3.1.0)己-3-基邻氨基苯甲酸?
The CAS number of N-双环(3.1.0)己-3-基邻氨基苯甲酸 is 79531-64-9.
What is the molecular formula of N-双环(3.1.0)己-3-基邻氨基苯甲酸?
The molecular formula of N-双环(3.1.0)己-3-基邻氨基苯甲酸 is C13H15NO2.
What is the molecular weight of N-双环(3.1.0)己-3-基邻氨基苯甲酸?
The molecular weight of N-双环(3.1.0)己-3-基邻氨基苯甲酸 is 217.11 g/mol.
Where can I buy N-双环(3.1.0)己-3-基邻氨基苯甲酸?
You can request a quote for N-双环(3.1.0)己-3-基邻氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-双环(3.1.0)己-3-基邻氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for N-双环(3.1.0)己-3-基邻氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.