![5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol structure](/static/products/849/849925-06-0.png)
5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol
TL;DR: 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol (CAS 849925-06-0) is a chemical compound with molecular formula C9H8FN3OS and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluoroanilino)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol, 5-(((4-Fluorophenyl)amino)methyl)-1,3,4-oxadiazole-2-thiol, 3502AE, 5-[(4-fluoroanilino)methyl]-3H-1,3,4-oxadiazole-2-thione, ASN 02709748
| Molecular Formula | C9H8FN3OS |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 2.48339 |
| Topological Polar Surface Area | 53.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.03722 |
| Heavy Atoms | 15 |
| Complexity | 490.5586 |
Chemical Identifiers
| CAS Number | 849925-06-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC2=NNC(=S)O2)F |
Product Overview
5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol (CAS 849925-06-0), with molecular formula C9H8FN3OS and molecular weight 225.04 g/mol. IUPAC: 5-[(4-fluoroanilino)methyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol
Property Insights of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol
The XLogP value of 2.48339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol. With a topological polar surface area (TPSA) of 53.85 Ų, 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol has 2 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 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol?
The CAS number of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol is 849925-06-0.
What is the molecular formula of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol?
The molecular formula of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol is C9H8FN3OS.
What is the molecular weight of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol?
The molecular weight of 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol is 225.04 g/mol.
Where can I buy 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol?
You can request a quote for 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.