(3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
TL;DR: (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide (CAS 392303-30-9) is a chemical compound with molecular formula C20H22FN3OS2 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide, F0417-1963, N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide, N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
| Molecular Formula | C20H22FN3OS2 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 5.1244 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.11884 |
| Heavy Atoms | 27 |
| Complexity | 833.13245 |
Chemical Identifiers
| CAS Number | 392303-30-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC5=CC(=CC=C5)F |
Product Overview
(3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide (CAS 392303-30-9), with molecular formula C20H22FN3OS2 and molecular weight 403.12 g/mol. IUPAC: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
Property Insights of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
The XLogP value of 5.1244 indicates that (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide 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 (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The CAS number of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is 392303-30-9.
What is the molecular formula of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The molecular formula of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is C20H22FN3OS2.
What is the molecular weight of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The molecular weight of (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is 403.12 g/mol.
Where can I buy (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
You can request a quote for (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3r,5r,7r)-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.