4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-
TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- (CAS 20973-06-2) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-propyl-2H-1,3-benzoxazin-4-one
Also Known As: 6-nitro-3-propyl-2H-1,3-benzoxazin-4-one, 4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-NITRO-3-PROPYL-, 2,3-Dihydro-6-nitro-3-propyl-4H-1,3-benzoxazin-4-one, 6-Nitro-3-propyl-2H-1,3-benzoxazin-4 -one, 3-n-Propyl-6-nitro-2,3-dihydro-4H-1,3-benzoxazin-4-one
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 20973-06-2 |
|---|---|
| SMILES | CCCN1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | MPOXZAJKGVAEAB-UHFFFAOYSA-N |
Product Overview
4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- (CAS 20973-06-2), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 6-nitro-3-propyl-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-
Property Insights of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-. 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-propyl-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- 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-propyl-?
The CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- is 20973-06-2.
What is the molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-?
The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- is C11H12N2O4.
What is the molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-?
The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- is 236.08 g/mol.
Where can I buy 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-?
You can request a quote for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- 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-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.