2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione
TL;DR: 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione (CAS 60073-90-7) is a chemical compound with molecular formula C15H13NOS and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione
Also Known As: 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione, 2-phenyl-3,4-dihydro-1,4-benzoxazepine-5(2H)-thione, J1.269.847J, AJ-091/33282005, 2-Phenyl-2,3-dihydro-1,4-benzoxazepine-5(4H)-thione
| Molecular Formula | C15H13NOS |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 3.0854 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.0718 |
| Heavy Atoms | 18 |
| Complexity | 567.7161 |
Chemical Identifiers
| CAS Number | 60073-90-7 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2C(=S)N1)C3=CC=CC=C3 |
Product Overview
2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione (CAS 60073-90-7), with molecular formula C15H13NOS and molecular weight 255.07 g/mol. IUPAC: 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione.
Chemical Property Profile of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione
Property Insights of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione
The XLogP value of 3.0854 indicates that 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione 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
Frequently Asked Questions
What is the CAS number of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione?
The CAS number of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione is 60073-90-7.
What is the molecular formula of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione?
The molecular formula of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione is C15H13NOS.
What is the molecular weight of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione?
The molecular weight of 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione is 255.07 g/mol.
Where can I buy 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione?
You can request a quote for 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-3,4-dihydro-2H-1,4-benzoxazepine-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.