2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 866133-87-1) is a chemical compound with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-morpholin-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one, 2-[2-(morpholin-4-yl)ethyl]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2-(2-morpholin-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one, 2-(2-morpholinoethyl)-7-nitro-4H-1,4-benzoxazin-3-one, 9-(2-morpholin-4-ylethyl)-3-nitro-10-oxa-7-azabicyclo[4.4.0]deca-2,4,11-trien-8-one
| Molecular Formula | C14H17N3O5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 1.0166 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.11682 |
| Heavy Atoms | 22 |
| Complexity | 585.84106 |
Chemical Identifiers
| CAS Number | 866133-87-1 |
|---|---|
| SMILES | C1COCCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 866133-87-1), with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol. IUPAC: 2-(2-morpholin-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.0166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one 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 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 866133-87-1.
What is the molecular formula of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one is C14H17N3O5.
What is the molecular weight of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 307.12 g/mol.
Where can I buy 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-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-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.