6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 191096-45-4) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
Also Known As: 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one, 6-chloro-2-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-chloro-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one, 12T-0207, 6-CHLORO-2-(2-HYDROXY-ETHYL)-4H-BENZO[1,4]OXAZIN-3-ONE
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.4219 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 394.25394 |
Chemical Identifiers
| CAS Number | 191096-45-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=O)C(O2)CCO |
Product Overview
6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 191096-45-4), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: 6-chloro-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.4219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 58.56 Ų, 6-chloro-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, 6-chloro-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 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is 191096-45-4.
What is the molecular formula of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is C10H10ClNO3.
What is the molecular weight of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is 227.03 g/mol.
Where can I buy 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-chloro-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 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.