N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide
TL;DR: N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide (CAS 394238-91-6) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylbutanamide
Also Known As: IFLab1_003287, AB00672446-01, F0748-0541, N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide, N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)butanamide
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.7317 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 931.45514 |
Chemical Identifiers
| CAS Number | 394238-91-6 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C2=C(C=C(C=C2)OC)OC)SC3=CC=CC=C3 |
Product Overview
N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide (CAS 394238-91-6), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylbutanamide.
Chemical Property Profile of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide
Property Insights of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide
The XLogP value of 4.7317 indicates that N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide. Following Lipinski's Rule of Five, N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)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 N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide?
The CAS number of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide is 394238-91-6.
What is the molecular formula of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide?
The molecular formula of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide is C20H21N3O3S2.
What is the molecular weight of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide?
The molecular weight of N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide is 415.10 g/mol.
Where can I buy N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide?
You can request a quote for N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-2-(phenylthio)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.