5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione
TL;DR: 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione (CAS 1423040-77-0) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-ol
Also Known As: 5-hydroxy-2,3,4,5-tetrahydro-1-benzothiepine-1,1-dione, 1,1-Dioxo-2,3,4,5-tetrahydro-1H-116-benzo[b]thiepin-5-ol, 1,1-dioxo-2,3,4,5-tetrahydro-1, 1,1-dioxo-2,3,4,5-tetrahydro-1lambda6-benzothiepin-5-ol, 5-hydroxy-2,3,4,5-tetrahydrobenzo[b]thiepine 1,1-dioxide
Technical Specifications
| Molecular Formula | C10H12O3S |
| Molecular Weight | 212.05072 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.05072 Da |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
| SMILES | C1CC(C2=CC=CC=C2S(=O)(=O)C1)O |
| InChIKey | FSEYHWQLJZBUCB-UHFFFAOYSA-N |
Chemical Property Profile of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione
Property Insights of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione. Following Lipinski's Rule of Five, 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The CAS number of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione is 1423040-77-0.
What is the molecular formula of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The molecular formula of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione is C10H12O3S.
What is the molecular weight of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The molecular weight of 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione is 212.05072 g/mol.
Where can I buy 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione?
You can request a quote for 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione?
Yes, CoreyChem provides custom synthesis services for 5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.