2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one
TL;DR: 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one (CAS 191096-41-0) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one, 12T-0208, 2-(2-hydroxyethyl)-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2-(2-hydroxyethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one, 2-(2-hydroxyethyl)-7-nitro-4H-benzo[1,4]oxazin-3-one
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 0.6767 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 473.7641 |
Chemical Identifiers
| CAS Number | 191096-41-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(C(=O)N2)CCO |
Product Overview
2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one (CAS 191096-41-0), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one
Property Insights of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one
The XLogP value of 0.6767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one has 2 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 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one?
The CAS number of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one is 191096-41-0.
What is the molecular formula of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one?
The molecular formula of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one is C10H10N2O5.
What is the molecular weight of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one?
The molecular weight of 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one is 238.06 g/mol.
Where can I buy 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one?
You can request a quote for 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-hydroxyethyl)-7-nitro-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.