2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one
TL;DR: 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one (CAS 54722-44-0) is a chemical compound with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-3,1-benzoxazin-4-one
Also Known As: 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one, 2-[(4-Chlorophenyl)amino]-4H-3,1-Benzoxazin-4-one, 2-[(4-chlorophenyl)amino]-[3,1]benzoxazin-4-one, 4-[(4-chlorophenyl)amino]-3-oxa-5-azabicyclo[4.4.0]deca-4,6,8,10-tetraen-2-one
| Molecular Formula | C14H9ClN2O2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 3.585 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.03525 |
| Heavy Atoms | 19 |
| Complexity | 781.303 |
Chemical Identifiers
| CAS Number | 54722-44-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)NC3=CC=C(C=C3)Cl |
Product Overview
2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one (CAS 54722-44-0), with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol. IUPAC: 2-(4-chloroanilino)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one
Property Insights of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one
The XLogP value of 3.585 indicates that 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one has 1 hydrogen bond donor(s) and 4 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-(4-chloroanilino)-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one is 54722-44-0.
What is the molecular formula of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one is C14H9ClN2O2.
What is the molecular weight of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one is 272.04 g/mol.
Where can I buy 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(4-chloroanilino)-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-(4-chloroanilino)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloroanilino)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.