![N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide structure](/static/products/5961/5961-95-5.webp)
N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide
TL;DR: N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide (CAS 5961-95-5) is a chemical compound with molecular formula C30H33ClN4OS and molecular weight 532.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3,3-diphenylpropyl)propanamide
Also Known As: N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide, 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3,3-diphenylpropyl)propanamide, N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-(propan-2-yl)-beta-alaninamide
| Molecular Formula | C30H33ClN4OS |
|---|---|
| Molecular Weight | 532.21 g/mol |
| LogP | 6.7256 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 532.20636 |
| Heavy Atoms | 37 |
| Complexity | 1206.0935 |
Chemical Identifiers
| CAS Number | 5961-95-5 |
|---|---|
| SMILES | CC(C)N(CCC(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl |
Product Overview
N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide (CAS 5961-95-5), with molecular formula C30H33ClN4OS and molecular weight 532.21 g/mol. IUPAC: 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3,3-diphenylpropyl)propanamide.
Chemical Property Profile of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide
Property Insights of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide
The XLogP value of 6.7256 indicates that N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.12 Ų, N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide has 1 hydrogen bond donor(s) and 5 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~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide?
The CAS number of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide is 5961-95-5.
What is the molecular formula of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide?
The molecular formula of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide is C30H33ClN4OS.
What is the molecular weight of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide?
The molecular weight of N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide is 532.21 g/mol.
Where can I buy N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide?
You can request a quote for N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-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~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide?
Yes, KEHONG BIO provides custom synthesis services for N~3~-{3-[(4-Chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3,3-diphenylpropyl)-N~3~-propan-2-yl-beta-alaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.