4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
TL;DR: 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CAS 713086-47-6) is a chemical compound with molecular formula C21H28FN5O3S and molecular weight 449.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
Also Known As: 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide, 4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
| Molecular Formula | C21H28FN5O3S |
|---|---|
| Molecular Weight | 449.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.1897 |
| Heavy Atoms | 31 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 713086-47-6 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC |
| InChIKey | NTMSGSHPCMREQO-UHFFFAOYSA-N |
Product Overview
4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CAS 713086-47-6), with molecular formula C21H28FN5O3S and molecular weight 449.19 g/mol. IUPAC: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
Chemical Property Profile of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
Property Insights of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide. Following Lipinski's Rule of Five, 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has 1 hydrogen bond donor(s) and 8 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 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The CAS number of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is 713086-47-6.
What is the molecular formula of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The molecular formula of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is C21H28FN5O3S.
What is the molecular weight of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The molecular weight of 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is 449.19 g/mol.
Where can I buy 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
You can request a quote for 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.