3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸
TL;DR: 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 (CAS 20241-07-0) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸
3-(dimethylaminodiazenyl)benzoic acid
Also Known As: 3- benzoicacid, 1-(3-Carboxyphenyl)-3,3-dimethyltriazene, m-(3,3-Dimethyltriazeno)benzoic acid, Benzoic acid,3-dimethyltriazeno)-, 1-(m-Carboxyphenyl)-3,3-dimethyltriazene
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 20241-07-0 |
|---|---|
| SMILES | CN(C)N=NC1=CC=CC(=C1)C(=O)O |
| InChIKey | BCPNATPABYLXNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 (CAS 20241-07-0), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 3-(dimethylaminodiazenyl)benzoic acid.
Chemical Property Profile of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸
Property Insights of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸. Following Lipinski's Rule of Five, 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 has 1 hydrogen bond donor(s) and 5 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-(3,3-二甲基-1-三氮烯-1-基)苯甲酸?
The CAS number of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 is 20241-07-0.
What is the molecular formula of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸?
The molecular formula of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 is C9H11N3O2.
What is the molecular weight of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸?
The molecular weight of 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 is 193.09 g/mol.
Where can I buy 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸?
You can request a quote for 3-(3,3-二甲基-1-三氮烯-1-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 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-二甲基-1-三氮烯-1-基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.