4-硝基-7-苯硫基苯并呋咱1-氧化物
TL;DR: 4-硝基-7-苯硫基苯并呋咱1-氧化物 (CAS 18378-06-8) is a chemical compound with molecular formula C12H7N3O4S and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基-7-苯硫基苯并呋咱1-氧化物
7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 1-oxide, BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-, 1-OXIDE, 4-Nitro-7-phenylthiobenzofurazan 1-oxide, Benzofurazan, 4-nitro-7-(phenylthio)-, 1-oxide, 4-Nitro-7-phenylthiobenzofurazane 1-oxide
| Molecular Formula | C12H7N3O4S |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.01572 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 18378-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | NHDVXPDPUYQSNH-UHFFFAOYSA-N |
Product Overview
4-硝基-7-苯硫基苯并呋咱1-氧化物 (CAS 18378-06-8), with molecular formula C12H7N3O4S and molecular weight 289.02 g/mol. IUPAC: 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 4-硝基-7-苯硫基苯并呋咱1-氧化物
Property Insights of 4-硝基-7-苯硫基苯并呋咱1-氧化物
The XLogP value of 3.3 indicates that 4-硝基-7-苯硫基苯并呋咱1-氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基-7-苯硫基苯并呋咱1-氧化物. Following Lipinski's Rule of Five, 4-硝基-7-苯硫基苯并呋咱1-氧化物 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 4-硝基-7-苯硫基苯并呋咱1-氧化物?
The CAS number of 4-硝基-7-苯硫基苯并呋咱1-氧化物 is 18378-06-8.
What is the molecular formula of 4-硝基-7-苯硫基苯并呋咱1-氧化物?
The molecular formula of 4-硝基-7-苯硫基苯并呋咱1-氧化物 is C12H7N3O4S.
What is the molecular weight of 4-硝基-7-苯硫基苯并呋咱1-氧化物?
The molecular weight of 4-硝基-7-苯硫基苯并呋咱1-氧化物 is 289.02 g/mol.
Where can I buy 4-硝基-7-苯硫基苯并呋咱1-氧化物?
You can request a quote for 4-硝基-7-苯硫基苯并呋咱1-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-硝基-7-苯硫基苯并呋咱1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基-7-苯硫基苯并呋咱1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.