N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
TL;DR: N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide (CAS 877781-25-4) is a chemical compound with molecular formula C14H16FN3O2S and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
Also Known As: N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide, N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide, N-[(2E)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-methylbutanamide
| Molecular Formula | C14H16FN3O2S |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 3.2408 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.09473 |
| Heavy Atoms | 21 |
| Complexity | 598.52155 |
Chemical Identifiers
| CAS Number | 877781-25-4 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NN=C(S1)COC2=CC=C(C=C2)F |
Product Overview
N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide (CAS 877781-25-4), with molecular formula C14H16FN3O2S and molecular weight 309.09 g/mol. IUPAC: N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.
Chemical Property Profile of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Property Insights of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
The XLogP value of 3.2408 indicates that N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide. Following Lipinski's Rule of Five, N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide has 1 hydrogen bond donor(s) and 5 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 N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
The CAS number of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is 877781-25-4.
What is the molecular formula of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
The molecular formula of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is C14H16FN3O2S.
What is the molecular weight of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
The molecular weight of N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is 309.09 g/mol.
Where can I buy N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
You can request a quote for N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.