F0417-0691
TL;DR: F0417-0691 (CAS 392296-30-9) is a chemical compound with molecular formula C19H17ClN4O2S2 and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: F0417-0691, 2-chloro-N-[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 2-chloro-N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 2-chloro-N-(5-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2-chloro-N-[5-[(3,5-dimethylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C19H17ClN4O2S2 |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 4.79144 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.04816 |
| Heavy Atoms | 28 |
| Complexity | 1002.42316 |
Chemical Identifiers
| CAS Number | 392296-30-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl)C |
Product Overview
F0417-0691 (CAS 392296-30-9), with molecular formula C19H17ClN4O2S2 and molecular weight 432.05 g/mol. IUPAC: 2-chloro-N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of F0417-0691
Property Insights of F0417-0691
The XLogP value of 4.79144 indicates that F0417-0691 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 F0417-0691. Following Lipinski's Rule of Five, F0417-0691 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 F0417-0691?
The CAS number of F0417-0691 is 392296-30-9.
What is the molecular formula of F0417-0691?
The molecular formula of F0417-0691 is C19H17ClN4O2S2.
What is the molecular weight of F0417-0691?
The molecular weight of F0417-0691 is 432.05 g/mol.
Where can I buy F0417-0691?
You can request a quote for F0417-0691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0691?
Yes, KEHONG BIO provides custom synthesis services for F0417-0691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.