1-硝基中氮茚-2-甲酸
TL;DR: 1-硝基中氮茚-2-甲酸 (CAS 502142-79-2) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-硝基中氮茚-2-甲酸
1-nitroindolizine-2-carboxylic acid
Also Known As: 1-nitroindolizine-2-carboxylic acid, 1-nitroindolizine-2-carboxylicacid, 2-INDOLIZINECARBOXYLIC ACID, 1-NITRO-, 2-Indolizinecarboxylic acid, 1-nitro- (9CI)
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 502142-79-2 |
|---|---|
| SMILES | C1=CC2=C(C(=CN2C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | CYGRFDSWSCKQTM-UHFFFAOYSA-N |
Product Overview
1-硝基中氮茚-2-甲酸 (CAS 502142-79-2), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 1-nitroindolizine-2-carboxylic acid.
Chemical Property Profile of 1-硝基中氮茚-2-甲酸
Property Insights of 1-硝基中氮茚-2-甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-硝基中氮茚-2-甲酸. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-硝基中氮茚-2-甲酸. Following Lipinski's Rule of Five, 1-硝基中氮茚-2-甲酸 has 1 hydrogen bond donor(s) and 4 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 1-硝基中氮茚-2-甲酸?
The CAS number of 1-硝基中氮茚-2-甲酸 is 502142-79-2.
What is the molecular formula of 1-硝基中氮茚-2-甲酸?
The molecular formula of 1-硝基中氮茚-2-甲酸 is C9H6N2O4.
What is the molecular weight of 1-硝基中氮茚-2-甲酸?
The molecular weight of 1-硝基中氮茚-2-甲酸 is 206.03 g/mol.
Where can I buy 1-硝基中氮茚-2-甲酸?
You can request a quote for 1-硝基中氮茚-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-硝基中氮茚-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-硝基中氮茚-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.