F3394-0582
TL;DR: F3394-0582 (CAS 690960-22-6) is a chemical compound with molecular formula C28H25N5O4S2 and molecular weight 559.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethylphenyl)-2-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: F3394-0582, ethyl 4-(3,4-dimethylphenyl)-2-(2-((4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamido)thiophene-3-carboxylate, ethyl 4-(3,4-dimethylphenyl)-2-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, ethyl 4-(3,4-dimethylphenyl)-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate, ethyl 2-{[(4-oxo-5-phenyl-1,2,5,7-tetraaza-4,5-dihydro-1H-inden-6-ylthio)methyl]carbonylamino}-4-(3,4-xylyl)-3-thenoate
| Molecular Formula | C28H25N5O4S2 |
|---|---|
| Molecular Weight | 559.13 g/mol |
| LogP | 5.36164 |
| Topological Polar Surface Area | 118.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 559.1348 |
| Heavy Atoms | 39 |
| Complexity | 1740.2764 |
Chemical Identifiers
| CAS Number | 690960-22-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5 |
Product Overview
F3394-0582 (CAS 690960-22-6), with molecular formula C28H25N5O4S2 and molecular weight 559.13 g/mol. IUPAC: ethyl 4-(3,4-dimethylphenyl)-2-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of F3394-0582
Property Insights of F3394-0582
The XLogP value of 5.36164 indicates that F3394-0582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0582. Following Lipinski's Rule of Five, F3394-0582 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0582?
The CAS number of F3394-0582 is 690960-22-6.
What is the molecular formula of F3394-0582?
The molecular formula of F3394-0582 is C28H25N5O4S2.
What is the molecular weight of F3394-0582?
The molecular weight of F3394-0582 is 559.13 g/mol.
Where can I buy F3394-0582?
You can request a quote for F3394-0582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0582?
Yes, KEHONG BIO provides custom synthesis services for F3394-0582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.