3-氨基-2,5-二甲基苯甲酸
TL;DR: 3-氨基-2,5-二甲基苯甲酸 (CAS 60772-68-1) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-2,5-二甲基苯甲酸
3-amino-2,5-dimethylbenzoic acid
Also Known As: 3-Amino-2,5-dimethylbenzoic acid, 2,5-Dimethyl-3-amino-benzoic acid, Benzoic acid,5-dimethyl-, BENZOIC ACID, 3-AMINO-2,5-DIMETHYL-, 3-amino- 2,5-dimethylbenzoic acid
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 60772-68-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)N)C)C(=O)O |
| InChIKey | CYETZFOMNAFWSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-2,5-二甲基苯甲酸 (CAS 60772-68-1), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 3-amino-2,5-dimethylbenzoic acid.
Chemical Property Profile of 3-氨基-2,5-二甲基苯甲酸
Property Insights of 3-氨基-2,5-二甲基苯甲酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-2,5-二甲基苯甲酸. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-2,5-二甲基苯甲酸. Following Lipinski's Rule of Five, 3-氨基-2,5-二甲基苯甲酸 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 3-氨基-2,5-二甲基苯甲酸?
The CAS number of 3-氨基-2,5-二甲基苯甲酸 is 60772-68-1.
What is the molecular formula of 3-氨基-2,5-二甲基苯甲酸?
The molecular formula of 3-氨基-2,5-二甲基苯甲酸 is C9H11NO2.
What is the molecular weight of 3-氨基-2,5-二甲基苯甲酸?
The molecular weight of 3-氨基-2,5-二甲基苯甲酸 is 165.08 g/mol.
Where can I buy 3-氨基-2,5-二甲基苯甲酸?
You can request a quote for 3-氨基-2,5-二甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-2,5-二甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-2,5-二甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.