![4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide structure](/static/products/713/713089-91-9.png)
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CAS 713089-91-9) is a chemical compound with molecular formula C22H31N5O3S and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
Also Known As: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide, 4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)butanamide
| Molecular Formula | C22H31N5O3S |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.21475 |
| Heavy Atoms | 31 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 713089-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)C |
| InChIKey | CHSGYPQNQFHYNY-UHFFFAOYSA-N |
Product Overview
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CAS 713089-91-9), with molecular formula C22H31N5O3S and molecular weight 445.21 g/mol. IUPAC: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
Chemical Property Profile of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide 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-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is 713089-91-9.
What is the molecular formula of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is C22H31N5O3S.
What is the molecular weight of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is 445.21 g/mol.
Where can I buy 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
You can request a quote for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.