1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide
TL;DR: 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide (CAS 62398-10-1) is a chemical compound with molecular formula C10H11BrO2S and molecular weight 273.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide
Also Known As: 5-bromo-1,2,4,5-tetrahydro-3, 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide, 1-Bromo-1,2,4,5-tetrahydro-benzo[d]thiepin-3,3-dioxide, 3-Benzothiepin, 1-bromo-1,2,4,5-tetrahydro-, 3,3-dioxide, 5-bromo-1,2,4,5-tetrahydro-3
| Molecular Formula | C10H11BrO2S |
|---|---|
| Molecular Weight | 273.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.9663 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 62398-10-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CC(C2=CC=CC=C21)Br |
| InChIKey | UMNCWECSMDPDOE-UHFFFAOYSA-N |
Product Overview
1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide (CAS 62398-10-1), with molecular formula C10H11BrO2S and molecular weight 273.97 g/mol. IUPAC: 5-bromo-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide.
Chemical Property Profile of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide
Property Insights of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide 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 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide?
The CAS number of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide is 62398-10-1.
What is the molecular formula of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide?
The molecular formula of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide is C10H11BrO2S.
What is the molecular weight of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide?
The molecular weight of 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide is 273.97 g/mol.
Where can I buy 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide?
You can request a quote for 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.