(3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
TL;DR: (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide (CAS 383371-99-1) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: BAS 00704314, AM-879/11721004, (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide, N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide, N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 4.2924 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 810.08234 |
Chemical Identifiers
| CAS Number | 383371-99-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
(3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide (CAS 383371-99-1), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
Property Insights of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
The XLogP value of 4.2924 indicates that (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide 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 (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 5 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 (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The CAS number of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is 383371-99-1.
What is the molecular formula of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The molecular formula of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is C21H25N3O2S.
What is the molecular weight of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The molecular weight of (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is 383.17 g/mol.
Where can I buy (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
You can request a quote for (3r,5r,7r)-N-(5-(4-methoxybenzyl)-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-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3r,5r,7r)-N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.