4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione
TL;DR: 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione (CAS 147502-37-2) is a chemical compound with molecular formula C16H15NOS and molecular weight 269.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazepine-5-thione
Also Known As: 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione, J2.181.012F, AJ-091/33282006, 4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazepine-5-thione, 2-Phenyl-4-methyl-2,3-dihydro-1,4-benzoxazepine-5(4H)-thione
Technical Specifications
| Molecular Formula | C16H15NOS |
| Molecular Weight | 269.08743 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.08743 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | CN1CC(OC2=CC=CC=C2C1=S)C3=CC=CC=C3 |
| InChIKey | CCLHOFSFMNPQPV-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione
Property Insights of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione
The XLogP value of 3.3 indicates that 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione has 0 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 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione?
The CAS number of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione is 147502-37-2.
What is the molecular formula of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione?
The molecular formula of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione is C16H15NOS.
What is the molecular weight of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione?
The molecular weight of 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione is 269.08743 g/mol.
Where can I buy 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione?
You can request a quote for 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione?
Yes, CoreyChem provides custom synthesis services for 4-methyl-2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.