![2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole structure](/static/products/6902/690247-50-8.webp)
2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole
TL;DR: 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole (CAS 690247-50-8) is a chemical compound with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole
Also Known As: 2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole, 2-[3-(AZEPANE-1-SULFONYL)-4-METHYLPHENYL]-1,3-BENZOTHIAZOLE, F1651-0112, [(5-benzothiazol-2-yl-2-methylphenyl)sulfonyl]azaperhydroepine, 2-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)benzo[d]thiazole
| Molecular Formula | C20H22N2O2S2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 4.83642 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.11227 |
| Heavy Atoms | 26 |
| Complexity | 999.90076 |
Chemical Identifiers
| CAS Number | 690247-50-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4 |
Product Overview
2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole (CAS 690247-50-8), with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol. IUPAC: 2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole
Property Insights of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole
The XLogP value of 4.83642 indicates that 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 4 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-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole?
The CAS number of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole is 690247-50-8.
What is the molecular formula of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole?
The molecular formula of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole is C20H22N2O2S2.
What is the molecular weight of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole?
The molecular weight of 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole is 386.11 g/mol.
Where can I buy 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole?
You can request a quote for 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.