![4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 structure](/static/products/893/893790-45-9.png)
4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1
TL;DR: 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 (CAS 893790-45-9) is a chemical compound with molecular formula C18H18ClFN2O2S2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1, F3167-0661, 4-butyl-3-((2-chloro-4-fluorobenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide, 4-butyl-3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4H-1lambda6,2,4-benzothiadiazine-1,1-dione, 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1lambda6,2,4-benzothiadiazine 1,1-dioxide
| Molecular Formula | C18H18ClFN2O2S2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 5.0773 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.04822 |
| Heavy Atoms | 26 |
| Complexity | 947.95734 |
Chemical Identifiers
| CAS Number | 893790-45-9 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2S(=O)(=O)N=C1SCC3=C(C=C(C=C3)F)Cl |
Product Overview
4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 (CAS 893790-45-9), with molecular formula C18H18ClFN2O2S2 and molecular weight 412.05 g/mol. IUPAC: 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1
Property Insights of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1
The XLogP value of 5.0773 indicates that 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 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 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1?
The CAS number of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 is 893790-45-9.
What is the molecular formula of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1?
The molecular formula of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 is C18H18ClFN2O2S2.
What is the molecular weight of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1?
The molecular weight of 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 is 412.05 g/mol.
Where can I buy 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1?
You can request a quote for 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.