![2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole structure](/static/products/6996/69961-85-9.webp)
2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole
TL;DR: 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole (CAS 69961-85-9) is a chemical compound with molecular formula C18H16N2S2 and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzothiazol-2-yl)butyl]-1,3-benzothiazole
Also Known As: 1,4-bis(benzo[d]thiazol-2-yl)butane, 2-[4-(1,3-benzothiazol-2-yl)butyl]-1,3-benzothiazole, 2,2'-(1,4-Butanediyl)bis-1,3-benzothiazole, AB01222719-03, F0016-0071
| Molecular Formula | C18H16N2S2 |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 5.4714 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.0755 |
| Heavy Atoms | 22 |
| Complexity | 765.39624 |
Chemical Identifiers
| CAS Number | 69961-85-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCCCC3=NC4=CC=CC=C4S3 |
Product Overview
2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole (CAS 69961-85-9), with molecular formula C18H16N2S2 and molecular weight 324.08 g/mol. IUPAC: 2-[4-(1,3-benzothiazol-2-yl)butyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole
Property Insights of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole
The XLogP value of 5.4714 indicates that 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole?
The CAS number of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole is 69961-85-9.
What is the molecular formula of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole?
The molecular formula of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole is C18H16N2S2.
What is the molecular weight of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole?
The molecular weight of 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole is 324.08 g/mol.
Where can I buy 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole?
You can request a quote for 2-[4-(1,3-Benzothiazol-2-yl)butyl]-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-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzothiazol-2-yl)butyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.