6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one
TL;DR: 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one (CAS 154598-39-7) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one
Also Known As: 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one, 2H-3,1-Benzoxazin-2-one, 6-chloro-4,4-diethyl-1,4-dihydro-, 6-chloro-4,4-diethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one, (+/-)-6-Chloro-4,4-diethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Technical Specifications
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.0713 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0713 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)CC |
| InChIKey | BNXXCRBEXYUZLX-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one
Property Insights of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one
The XLogP value of 3.3 indicates that 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one has 1 hydrogen bond donor(s) and 2 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-4,4-diethyl-1H-3,1-benzoxazin-2-one?
The CAS number of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one is 154598-39-7.
What is the molecular formula of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one?
The molecular formula of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one is C12H14ClNO2.
What is the molecular weight of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one?
The molecular weight of 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one is 239.0713 g/mol.
Where can I buy 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one?
You can request a quote for 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one?
Yes, CoreyChem provides custom synthesis services for 6-chloro-4,4-diethyl-1H-3,1-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.