4-氯-7-硝基苯并呋咱3-氧化物
TL;DR: 4-氯-7-硝基苯并呋咱3-氧化物 (CAS 18378-13-7) is a chemical compound with molecular formula C6H2ClN3O4 and molecular weight 214.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-7-硝基苯并呋咱3-氧化物
4-chloro-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 3-oxide, 4-Chloro-7-nitrobenzofurazan 3-oxide, BENZOFURAZAN, 4-CHLORO-7-NITRO-, 3-OXIDE, 4-Chloro-7-nitrobenzofurazane 3-oxide, 7-chloro-4-nitro-2,1,3-benzoxadiazole 1-oxide
| Molecular Formula | C6H2ClN3O4 |
|---|---|
| Molecular Weight | 214.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.97339 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 18378-13-7 |
|---|---|
| SMILES | C1=C(C2=NO[N+](=C2C(=C1)Cl)[O-])[N+](=O)[O-] |
| InChIKey | IWKPOHLVJRTYGQ-UHFFFAOYSA-N |
Product Overview
4-氯-7-硝基苯并呋咱3-氧化物 (CAS 18378-13-7), with molecular formula C6H2ClN3O4 and molecular weight 214.97 g/mol. IUPAC: 4-chloro-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 4-氯-7-硝基苯并呋咱3-氧化物
Property Insights of 4-氯-7-硝基苯并呋咱3-氧化物
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-7-硝基苯并呋咱3-氧化物. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-7-硝基苯并呋咱3-氧化物. Following Lipinski's Rule of Five, 4-氯-7-硝基苯并呋咱3-氧化物 has 0 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 4-氯-7-硝基苯并呋咱3-氧化物?
The CAS number of 4-氯-7-硝基苯并呋咱3-氧化物 is 18378-13-7.
What is the molecular formula of 4-氯-7-硝基苯并呋咱3-氧化物?
The molecular formula of 4-氯-7-硝基苯并呋咱3-氧化物 is C6H2ClN3O4.
What is the molecular weight of 4-氯-7-硝基苯并呋咱3-氧化物?
The molecular weight of 4-氯-7-硝基苯并呋咱3-氧化物 is 214.97 g/mol.
Where can I buy 4-氯-7-硝基苯并呋咱3-氧化物?
You can request a quote for 4-氯-7-硝基苯并呋咱3-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-7-硝基苯并呋咱3-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-7-硝基苯并呋咱3-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.