4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-
TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- (CAS 20979-01-5) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-phenyl-2H-1,3-benzoxazin-4-one
Also Known As: 6-Nitro-3-phenyl-2H-1,3-benzoxazin-4 -one, 4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-NITRO-3-PHENYL-, 6-nitro-3-phenyl-2H-1,3-benzoxazin-4-one, 2,3-Dihydro-6-nitro-3-phenyl-4H-1,3-benzoxazin-4-one, 6-Nitro-3-phenyl-2H-1,3-benzoxazin-4(3H)-one
| Molecular Formula | C14H10N2O4 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.06406 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 20979-01-5 |
|---|---|
| SMILES | C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | ASXQIAOKRHJTKP-UHFFFAOYSA-N |
Product Overview
4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- (CAS 20979-01-5), with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol. IUPAC: 6-nitro-3-phenyl-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-
Property Insights of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- has 0 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 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-?
The CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- is 20979-01-5.
What is the molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-?
The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- is C14H10N2O4.
What is the molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-?
The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- is 270.06 g/mol.
Where can I buy 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-?
You can request a quote for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.