F0417-0104
TL;DR: F0417-0104 (CAS 392291-36-0) is a chemical compound with molecular formula C22H26N4O2S2 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: F0417-0104, (3r,5r,7r)-N-(5-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide, N-[5-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-[(4-methylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
| Molecular Formula | C22H26N4O2S2 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 4.73222 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.14972 |
| Heavy Atoms | 30 |
| Complexity | 921.0179 |
Chemical Identifiers
| CAS Number | 392291-36-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0417-0104 (CAS 392291-36-0), with molecular formula C22H26N4O2S2 and molecular weight 442.15 g/mol. IUPAC: N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of F0417-0104
Property Insights of F0417-0104
The XLogP value of 4.73222 indicates that F0417-0104 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 F0417-0104. Following Lipinski's Rule of Five, F0417-0104 has 2 hydrogen bond donor(s) and 6 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 F0417-0104?
The CAS number of F0417-0104 is 392291-36-0.
What is the molecular formula of F0417-0104?
The molecular formula of F0417-0104 is C22H26N4O2S2.
What is the molecular weight of F0417-0104?
The molecular weight of F0417-0104 is 442.15 g/mol.
Where can I buy F0417-0104?
You can request a quote for F0417-0104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0104?
Yes, KEHONG BIO provides custom synthesis services for F0417-0104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.