N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
TL;DR: N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide (CAS 956041-26-2) is a chemical compound with molecular formula C23H29N3O2S and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide
Also Known As: N-[5-(2-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide, 4-butoxy-N-[5-(tricyclo[3.3.1.1~3,7~]dec-2-yl)-1,3,4-thiadiazol-2-yl]benzamide, N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
| Molecular Formula | C23H29N3O2S |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 5.509 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.19806 |
| Heavy Atoms | 29 |
| Complexity | 835.2628 |
Chemical Identifiers
| CAS Number | 956041-26-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3C4CC5CC(C4)CC3C5 |
Product Overview
N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide (CAS 956041-26-2), with molecular formula C23H29N3O2S and molecular weight 411.20 g/mol. IUPAC: N-[5-(2-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide.
Chemical Property Profile of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
Property Insights of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
The XLogP value of 5.509 indicates that N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide. Following Lipinski's Rule of Five, N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide 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-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
The CAS number of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is 956041-26-2.
What is the molecular formula of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
The molecular formula of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is C23H29N3O2S.
What is the molecular weight of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
The molecular weight of N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is 411.20 g/mol.
Where can I buy N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
You can request a quote for N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((1r,3r,5r,7r)-adamantan-2-yl)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.