A1569/0068396
TL;DR: A1569/0068396 (CAS 398471-33-5) is a chemical compound with molecular formula C26H23FN4O2S3 and molecular weight 538.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
Also Known As: A1569/0068396, 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole, 2-[5-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazole, 2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1,3-thiazole, 2-[5-(4-FLUOROPHENYL)-3-(THIOPHEN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-4-[4-(PYRROLIDINE-1-SULFONYL)PHENYL]-1,3-THIAZOLE
| Molecular Formula | C26H23FN4O2S3 |
|---|---|
| Molecular Weight | 538.10 g/mol |
| LogP | 6.1509 |
| Topological Polar Surface Area | 65.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.09674 |
| Heavy Atoms | 36 |
| Complexity | 1491.5316 |
Chemical Identifiers
| CAS Number | 398471-33-5 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4C(CC(=N4)C5=CC=CS5)C6=CC=C(C=C6)F |
Product Overview
A1569/0068396 (CAS 398471-33-5), with molecular formula C26H23FN4O2S3 and molecular weight 538.10 g/mol. IUPAC: 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole.
Chemical Property Profile of A1569/0068396
Property Insights of A1569/0068396
The XLogP value of 6.1509 indicates that A1569/0068396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.87 Ų falls within the moderate polarity range, balancing permeability and solubility for A1569/0068396. Following Lipinski's Rule of Five, A1569/0068396 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1569/0068396?
The CAS number of A1569/0068396 is 398471-33-5.
What is the molecular formula of A1569/0068396?
The molecular formula of A1569/0068396 is C26H23FN4O2S3.
What is the molecular weight of A1569/0068396?
The molecular weight of A1569/0068396 is 538.10 g/mol.
Where can I buy A1569/0068396?
You can request a quote for A1569/0068396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1569/0068396?
Yes, KEHONG BIO provides custom synthesis services for A1569/0068396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.