F0417-0679
TL;DR: F0417-0679 (CAS 392296-20-7) is a chemical compound with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: F0417-0679, (3r,5r,7r)-N-(5-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide, N-[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-[(3,5-dimethylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
| Molecular Formula | C23H28N4O2S2 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.04064 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.16537 |
| Heavy Atoms | 31 |
| Complexity | 963.22125 |
Chemical Identifiers
| CAS Number | 392296-20-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C |
Product Overview
F0417-0679 (CAS 392296-20-7), with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol. IUPAC: N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of F0417-0679
Property Insights of F0417-0679
The XLogP value of 5.04064 indicates that F0417-0679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0417-0679. Following Lipinski's Rule of Five, F0417-0679 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0417-0679?
The CAS number of F0417-0679 is 392296-20-7.
What is the molecular formula of F0417-0679?
The molecular formula of F0417-0679 is C23H28N4O2S2.
What is the molecular weight of F0417-0679?
The molecular weight of F0417-0679 is 456.17 g/mol.
Where can I buy F0417-0679?
You can request a quote for F0417-0679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0679?
Yes, KEHONG BIO provides custom synthesis services for F0417-0679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.