6-硝基-1,2-苯并异恶唑-3-甲酸(1-)
TL;DR: 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) (CAS 42540-91-0) is a chemical compound with molecular formula C8H3N2O5- and molecular weight 207.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-硝基-1,2-苯并异恶唑-3-甲酸(1-)
6-nitro-1,2-benzoxazole-3-carboxylate
Also Known As: 6-nitro-1,2-benzoxazole-3-carboxylate, 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID (1-)
| Molecular Formula | C8H3N2O5- |
|---|---|
| Molecular Weight | 207.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.0042 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 42540-91-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])ON=C2C(=O)[O-] |
| InChIKey | ZLEFVQVMLIQEOU-UHFFFAOYSA-M |
Product Overview
6-硝基-1,2-苯并异恶唑-3-甲酸(1-) (CAS 42540-91-0), with molecular formula C8H3N2O5- and molecular weight 207.00 g/mol. IUPAC: 6-nitro-1,2-benzoxazole-3-carboxylate.
Chemical Property Profile of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)
Property Insights of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-硝基-1,2-苯并异恶唑-3-甲酸(1-). The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-硝基-1,2-苯并异恶唑-3-甲酸(1-). Following Lipinski's Rule of Five, 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) has 0 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 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)?
The CAS number of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) is 42540-91-0.
What is the molecular formula of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)?
The molecular formula of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) is C8H3N2O5-.
What is the molecular weight of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)?
The molecular weight of 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) is 207.00 g/mol.
Where can I buy 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)?
You can request a quote for 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-硝基-1,2-苯并异恶唑-3-甲酸(1-)?
Yes, KEHONG BIO provides custom synthesis services for 6-硝基-1,2-苯并异恶唑-3-甲酸(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.