Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 345614-47-3) 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.
butyl N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate, butyl [5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate, butoxy-N-{5-[(4-fluorophenyl)methyl](1,3,4-thiadiazol-2-yl)}carboxamide, butyl [(2E)-5-(4-fluorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate, butyl N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
| Molecular Formula | C14H16FN3O2S |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 3.6166 |
| 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 | 586.16 |
Chemical Identifiers
| CAS Number | 345614-47-3 |
|---|---|
| SMILES | CCCCOC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)F |
Product Overview
Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 345614-47-3), with molecular formula C14H16FN3O2S and molecular weight 309.09 g/mol. IUPAC: butyl N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 3.6166 indicates that Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate 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 Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate 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 Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate is 345614-47-3.
What is the molecular formula of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate is C14H16FN3O2S.
What is the molecular weight of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate is 309.09 g/mol.
Where can I buy Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.