2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione
TL;DR: 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione (CAS 5185-14-8) is a chemical compound with molecular formula C14H13NOS and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione
Also Known As: ChemDiv3_000143, IDI1_019461, BAS 00890397, 2-PHENYL-5,6,7,8-TETRAHYDRO-BENZO(E)(1,3)OXAZINE-4-THIONE, AH-034/11963019
| Molecular Formula | C14H13NOS |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.0718 |
| Heavy Atoms | 17 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 5185-14-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=CC=C3 |
| InChIKey | ADESGXWSHWCJOO-UHFFFAOYSA-N |
Product Overview
2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione (CAS 5185-14-8), with molecular formula C14H13NOS and molecular weight 243.07 g/mol. IUPAC: 2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione.
Chemical Property Profile of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione
Property Insights of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione
The XLogP value of 3.3 indicates that 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-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
Frequently Asked Questions
What is the CAS number of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione?
The CAS number of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione is 5185-14-8.
What is the molecular formula of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione?
The molecular formula of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione is C14H13NOS.
What is the molecular weight of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione?
The molecular weight of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione is 243.07 g/mol.
Where can I buy 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione?
You can request a quote for 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-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-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.