![2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol structure](/static/products/3297/329779-42-2.webp)
2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol
TL;DR: 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol (CAS 329779-42-2) is a chemical compound with molecular formula C16H14FN3OS2 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]methyl]phenol
Also Known As: 2-[({5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol, 2-{[(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]methyl}phenol, 2-[[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]methyl]phenol, 2-({5-(4-Fluorobenzyl)sulfanyl-1,3,4-thiadiazol-2-yl}amino)methylbenzenol, 2-[[[5-[[(4-Fluorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]amino]methyl]phenol
| Molecular Formula | C16H14FN3OS2 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 4.2872 |
| Topological Polar Surface Area | 58.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.05624 |
| Heavy Atoms | 23 |
| Complexity | 777.00635 |
Chemical Identifiers
| CAS Number | 329779-42-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=NN=C(S2)SCC3=CC=C(C=C3)F)O |
Product Overview
2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol (CAS 329779-42-2), with molecular formula C16H14FN3OS2 and molecular weight 347.06 g/mol. IUPAC: 2-[[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]methyl]phenol.
Chemical Property Profile of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol
Property Insights of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol
The XLogP value of 4.2872 indicates that 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.04 Ų, 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol has 2 hydrogen bond donor(s) and 6 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-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol?
The CAS number of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol is 329779-42-2.
What is the molecular formula of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol?
The molecular formula of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol is C16H14FN3OS2.
What is the molecular weight of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol?
The molecular weight of 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol is 347.06 g/mol.
Where can I buy 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol?
You can request a quote for 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[({5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)methyl]benzenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.