A1568/0068345
TL;DR: A1568/0068345 (CAS 398471-24-4) is a chemical compound with molecular formula C23H17BrFN3OS2 and molecular weight 513.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
Also Known As: A1568/0068345, 4-(3-bromo-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole, 4-(3-bromo-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole, 4-(3-bromo-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole
| Molecular Formula | C23H17BrFN3OS2 |
|---|---|
| Molecular Weight | 513.00 g/mol |
| LogP | 7.1375 |
| Topological Polar Surface Area | 37.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.99805 |
| Heavy Atoms | 31 |
| Complexity | 1238.2123 |
Chemical Identifiers
| CAS Number | 398471-24-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)Br |
Product Overview
A1568/0068345 (CAS 398471-24-4), with molecular formula C23H17BrFN3OS2 and molecular weight 513.00 g/mol. IUPAC: 4-(3-bromo-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
Chemical Property Profile of A1568/0068345
Property Insights of A1568/0068345
The XLogP value of 7.1375 indicates that A1568/0068345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.72 Ų, A1568/0068345 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1568/0068345 has 0 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 A1568/0068345?
The CAS number of A1568/0068345 is 398471-24-4.
What is the molecular formula of A1568/0068345?
The molecular formula of A1568/0068345 is C23H17BrFN3OS2.
What is the molecular weight of A1568/0068345?
The molecular weight of A1568/0068345 is 513.00 g/mol.
Where can I buy A1568/0068345?
You can request a quote for A1568/0068345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1568/0068345?
Yes, KEHONG BIO provides custom synthesis services for A1568/0068345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.