2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-
TL;DR: 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- (CAS 24464-27-5) is a chemical compound with molecular formula C10H9N3O6 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-6,8-dinitro-1H-3,1-benzoxazin-2-one
Also Known As: 4,4-dimethyl-6,8-dinitro-1H-3,1-benzoxazin-2-one, 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-, 4,4-dimethyl-6,8-dinitro-1,4-dihydro-2h-3,1-benzoxazin-2-one, 1,4-Dihydro-4,4-dimethyl-6,8-dinitro-2H-3,1-benzoxazin-2-one, 6,8-Dinitro-4,4-dimethyl-2H-<3,1>benzoxazin-2-one
| Molecular Formula | C10H9N3O6 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.04913 |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 24464-27-5 |
|---|---|
| SMILES | CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)O1)C |
| InChIKey | QUQYDLVIQULMIE-UHFFFAOYSA-N |
Product Overview
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- (CAS 24464-27-5), with molecular formula C10H9N3O6 and molecular weight 267.05 g/mol. IUPAC: 4,4-dimethyl-6,8-dinitro-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-
Property Insights of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-. Following Lipinski's Rule of Five, 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- has 1 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 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-?
The CAS number of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- is 24464-27-5.
What is the molecular formula of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-?
The molecular formula of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- is C10H9N3O6.
What is the molecular weight of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-?
The molecular weight of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- is 267.05 g/mol.
Where can I buy 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-?
You can request a quote for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6,8-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.