2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 161176-99-4) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
Also Known As: 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one, 2-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one, 2-(2-Hydroxyethyl)-1,4-benzoxazin-3-one, 2-(2-Hydroxyethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.7685 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 350.97528 |
Chemical Identifiers
| CAS Number | 161176-99-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(O2)CCO |
Product Overview
2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 161176-99-4), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 0.7685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 58.56 Ų, 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one has 2 hydrogen bond donor(s) and 3 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)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is 161176-99-4.
What is the molecular formula of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is C10H11NO3.
What is the molecular weight of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is 193.07 g/mol.
Where can I buy 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-(2-hydroxyethyl)-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-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.