3-氨基-5-硝基苯甲酸
TL;DR: 3-氨基-5-硝基苯甲酸 (CAS 66800-31-5) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-5-硝基苯甲酸
3-amino-5-nitrobenzoic acid
Also Known As: 3-Amino-5-nitrobenzoic acid, 3-Amino-5-nitro-benzoic acid, 3-amino-5-nitrobenzoicacid, Benzoic acid, 3-amino-5-nitro-, 5-amino-3-nitrobenzoic acid
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 66800-31-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)O |
| InChIKey | ZNVHAQRPXAQKRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-5-硝基苯甲酸 (CAS 66800-31-5), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: 3-amino-5-nitrobenzoic acid.
Chemical Property Profile of 3-氨基-5-硝基苯甲酸
Property Insights of 3-氨基-5-硝基苯甲酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-5-硝基苯甲酸. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-5-硝基苯甲酸. Following Lipinski's Rule of Five, 3-氨基-5-硝基苯甲酸 has 2 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-氨基-5-硝基苯甲酸?
The CAS number of 3-氨基-5-硝基苯甲酸 is 66800-31-5.
What is the molecular formula of 3-氨基-5-硝基苯甲酸?
The molecular formula of 3-氨基-5-硝基苯甲酸 is C7H6N2O4.
What is the molecular weight of 3-氨基-5-硝基苯甲酸?
The molecular weight of 3-氨基-5-硝基苯甲酸 is 182.03 g/mol.
Where can I buy 3-氨基-5-硝基苯甲酸?
You can request a quote for 3-氨基-5-硝基苯甲酸 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-5-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-5-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.