1-(2-Octylsulfanylethyl)benzotriazole
TL;DR: 1-(2-Octylsulfanylethyl)benzotriazole (CAS 300678-77-7) is a chemical compound with molecular formula C16H25N3S and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-octylsulfanylethyl)benzotriazole
Also Known As: 1-(2-octylsulfanylethyl)benzotriazole, 2-(1H-1,2,3-benzotriazol-1-yl)ethyl octyl sulfide, AE-018/31864001
| Molecular Formula | C16H25N3S |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 4.525 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 291.1769 |
| Heavy Atoms | 20 |
| Complexity | 495.18256 |
Chemical Identifiers
| CAS Number | 300678-77-7 |
|---|---|
| SMILES | CCCCCCCCSCCN1C2=CC=CC=C2N=N1 |
Product Overview
1-(2-Octylsulfanylethyl)benzotriazole (CAS 300678-77-7), with molecular formula C16H25N3S and molecular weight 291.18 g/mol. IUPAC: 1-(2-octylsulfanylethyl)benzotriazole.
Chemical Property Profile of 1-(2-Octylsulfanylethyl)benzotriazole
Property Insights of 1-(2-Octylsulfanylethyl)benzotriazole
The XLogP value of 4.525 indicates that 1-(2-Octylsulfanylethyl)benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(2-Octylsulfanylethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Octylsulfanylethyl)benzotriazole has 0 hydrogen bond donor(s) and 3 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-(2-Octylsulfanylethyl)benzotriazole?
The CAS number of 1-(2-Octylsulfanylethyl)benzotriazole is 300678-77-7.
What is the molecular formula of 1-(2-Octylsulfanylethyl)benzotriazole?
The molecular formula of 1-(2-Octylsulfanylethyl)benzotriazole is C16H25N3S.
What is the molecular weight of 1-(2-Octylsulfanylethyl)benzotriazole?
The molecular weight of 1-(2-Octylsulfanylethyl)benzotriazole is 291.18 g/mol.
Where can I buy 1-(2-Octylsulfanylethyl)benzotriazole?
You can request a quote for 1-(2-Octylsulfanylethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Octylsulfanylethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Octylsulfanylethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.