![N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide structure](/static/products/5927/5927-02-6.webp)
N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide
TL;DR: N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide (CAS 5927-02-6) is a chemical compound with molecular formula C32H34N4O4S and molecular weight 570.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
Also Known As: N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
| Molecular Formula | C32H34N4O4S |
|---|---|
| Molecular Weight | 570.23 g/mol |
| LogP | 5.73432 |
| Topological Polar Surface Area | 93.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 570.2301 |
| Heavy Atoms | 41 |
| Complexity | 1489.3411 |
Chemical Identifiers
| CAS Number | 5927-02-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCN(CCC3=CC(=C(C=C3)OC)OC)C(=O)C4CC4C5=CC=CC=C5 |
Product Overview
N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide (CAS 5927-02-6), with molecular formula C32H34N4O4S and molecular weight 570.23 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide.
Chemical Property Profile of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide
Property Insights of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide
The XLogP value of 5.73432 indicates that N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide. Following Lipinski's Rule of Five, N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide?
The CAS number of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide is 5927-02-6.
What is the molecular formula of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide?
The molecular formula of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide is C32H34N4O4S.
What is the molecular weight of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide?
The molecular weight of N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide is 570.23 g/mol.
Where can I buy N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide?
You can request a quote for N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide?
Yes, KEHONG BIO provides custom synthesis services for N~3~-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(2-phenylcyclopropane-1-carbonyl)-beta-alaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.