6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine
TL;DR: 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine (CAS 131591-53-2) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.08694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine
Also Known As: 6-chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine, 4-[6-chloro-2H-1,3-benzoxazin-3(4H)-yl]phenyl ethyl ether, 6-chloro-3-(4-ethoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazine, 6-chloro-3-(4-ethoxyphenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine, 2H-Benzo[e][1,3]oxazine, 6-chloro-3-(4-ethoxyphenyl)-3,4-dihydro-
Technical Specifications
| Molecular Formula | C16H16ClNO2 |
| Molecular Weight | 289.08694 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.08694 Da |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
| SMILES | CCOC1=CC=C(C=C1)N2CC3=C(C=CC(=C3)Cl)OC2 |
| InChIKey | LLBNIINGXVCSCZ-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine
Property Insights of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine
The XLogP value of 4.3 indicates that 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The CAS number of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine is 131591-53-2.
What is the molecular formula of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The molecular formula of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine is C16H16ClNO2.
What is the molecular weight of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The molecular weight of 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine is 289.08694 g/mol.
Where can I buy 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
You can request a quote for 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.