2-硝基间苯二甲酸
TL;DR: 2-硝基间苯二甲酸 (CAS 21161-11-5) is a chemical compound with molecular formula C8H5NO6 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基间苯二甲酸
2-nitrobenzene-1,3-dicarboxylic acid
Also Known As: 2-Nitroisophthalic acid, 2-nitrobenzene-1,3-dicarboxylic acid, 2-NITRO-ISOPHTHALIC ACID, 2-nitroisophthalicacid, nitroisophthalic acid
| Molecular Formula | C8H5NO6 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.01169 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 21161-11-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O |
| InChIKey | CAHWDGJDQYAFHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基间苯二甲酸 (CAS 21161-11-5), with molecular formula C8H5NO6 and molecular weight 211.01 g/mol. IUPAC: 2-nitrobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 2-硝基间苯二甲酸
Property Insights of 2-硝基间苯二甲酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基间苯二甲酸. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基间苯二甲酸. Following Lipinski's Rule of Five, 2-硝基间苯二甲酸 has 2 hydrogen bond donor(s) and 6 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 2-硝基间苯二甲酸?
The CAS number of 2-硝基间苯二甲酸 is 21161-11-5.
What is the molecular formula of 2-硝基间苯二甲酸?
The molecular formula of 2-硝基间苯二甲酸 is C8H5NO6.
What is the molecular weight of 2-硝基间苯二甲酸?
The molecular weight of 2-硝基间苯二甲酸 is 211.01 g/mol.
Where can I buy 2-硝基间苯二甲酸?
You can request a quote for 2-硝基间苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基间苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基间苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.