2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one
TL;DR: 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one (CAS 77093-93-7) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylamino)-3,1-benzoxazin-4-one
Also Known As: 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one, 2-(2-chloroethylamino)-3,1-benzoxazin-4-one, 2-[(2-Chloroethyl)amino]-4H-3,1-benzoxazin-4-one, 4H-3,1-Benzoxazin-4-one, 2-[(2-chloroethyl)amino]-, RefChem:83663
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 77093-93-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)NCCCl |
| InChIKey | KFSRFZLPZZONHH-UHFFFAOYSA-N |
Product Overview
2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one (CAS 77093-93-7), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: 2-(2-chloroethylamino)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one
Property Insights of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 50.7 Ų, 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chloroethyl)amino)-4H-3,1-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)amino)-4H-3,1-benzoxazin-4-one?
The CAS number of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one is 77093-93-7.
What is the molecular formula of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one is C10H9ClN2O2.
What is the molecular weight of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one is 224.04 g/mol.
Where can I buy 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-((2-Chloroethyl)amino)-4H-3,1-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)amino)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.