2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one
TL;DR: 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 25206-44-4) 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.
2-(2-chloroethyl)-3-hydroxy-2H-1,3-benzoxazin-4-one
Also Known As: 2-(2-chloroethyl)-3-hydroxy-3,4-dihydro-2H-1,3-benzoxazin-4-one, 2-(2-chloroethyl)-3-hydroxy-2H-1,3-benzoxazin-4-one, 2-(2-chloroethyl)-3-hydroxy-2H-benzo[e][1,3]oxazin-4(3H)-one, 4H-1,3-Benzoxazin-4-one,2-(2-chloroethyl)-2,3-dihydro-3-hydroxy-, 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.8654 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 382.68518 |
Chemical Identifiers
| CAS Number | 25206-44-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(O2)CCCl)O |
Product Overview
2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 25206-44-4), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: 2-(2-chloroethyl)-3-hydroxy-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one
Property Insights of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one
The XLogP value of 1.8654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one. With a topological polar surface area (TPSA) of 49.77 Ų, 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one has 1 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-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The CAS number of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one is 25206-44-4.
What is the molecular formula of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular formula of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one is C10H10ClNO3.
What is the molecular weight of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular weight of 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one is 227.03 g/mol.
Where can I buy 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one?
You can request a quote for 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-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-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.