Tetrahydrobenzothiepine-1-oxide
TL;DR: Tetrahydrobenzothiepine-1-oxide (CAS 26524-87-8) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrahydro-1λ4-benzothiepine 1-oxide
Also Known As: tetrahydrobenzothiepine-1-oxide, 2,3,4,5-tetrahydro-1, 2,3,4,5-tetrahydro-1lambda4-benzothiepine 1-oxide, 2,3,4,5-Tetrahydro-1H-1lambda~4~-benzothiepin-1-one
| Molecular Formula | C10H12OS |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06088 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 26524-87-8 |
|---|---|
| SMILES | C1CCS(=O)C2=CC=CC=C2C1 |
| InChIKey | OETQCLHKWUINEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydrobenzothiepine-1-oxide (CAS 26524-87-8), with molecular formula C10H12OS and molecular weight 180.06 g/mol. IUPAC: 2,3,4,5-tetrahydro-1λ4-benzothiepine 1-oxide.
Chemical Property Profile of Tetrahydrobenzothiepine-1-oxide
Property Insights of Tetrahydrobenzothiepine-1-oxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrobenzothiepine-1-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, Tetrahydrobenzothiepine-1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrobenzothiepine-1-oxide 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 Tetrahydrobenzothiepine-1-oxide?
The CAS number of Tetrahydrobenzothiepine-1-oxide is 26524-87-8.
What is the molecular formula of Tetrahydrobenzothiepine-1-oxide?
The molecular formula of Tetrahydrobenzothiepine-1-oxide is C10H12OS.
What is the molecular weight of Tetrahydrobenzothiepine-1-oxide?
The molecular weight of Tetrahydrobenzothiepine-1-oxide is 180.06 g/mol.
Where can I buy Tetrahydrobenzothiepine-1-oxide?
You can request a quote for Tetrahydrobenzothiepine-1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrobenzothiepine-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrobenzothiepine-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.