4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
TL;DR: 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CAS 714246-32-9) is a chemical compound with molecular formula C22H30ClN5O3S and molecular weight 479.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
Also Known As: 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide, 4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide, 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
| Molecular Formula | C22H30ClN5O3S |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 3.4617 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.17578 |
| Heavy Atoms | 32 |
| Complexity | 928.04016 |
Chemical Identifiers
| CAS Number | 714246-32-9 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC |
Product Overview
4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CAS 714246-32-9), with molecular formula C22H30ClN5O3S and molecular weight 479.18 g/mol. IUPAC: 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.
Chemical Property Profile of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
Property Insights of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
The XLogP value of 3.4617 indicates that 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide. Following Lipinski's Rule of Five, 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has 1 hydrogen bond donor(s) and 7 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-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The CAS number of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is 714246-32-9.
What is the molecular formula of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The molecular formula of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is C22H30ClN5O3S.
What is the molecular weight of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The molecular weight of 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is 479.18 g/mol.
Where can I buy 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
You can request a quote for 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-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-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.