BAS 09688694
TL;DR: BAS 09688694 (CAS 892736-13-9) is a chemical compound with molecular formula C17H13F3N4O2 and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Also Known As: BAS 09688694, 4-{(E)-2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2-ol, A3637/0154326, (E)-4-(2-(3-(4-methoxyphenyl)-1H-pyrazol-4-yl)vinyl)-6-(trifluoromethyl)pyrimidin-2(1H)-one, 6-{2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]vinyl}-4-(trifluoromethyl)-2(1H)-pyrimidinone
| Molecular Formula | C17H13F3N4O2 |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 3.3578 |
| Topological Polar Surface Area | 83.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.09906 |
| Heavy Atoms | 26 |
| Complexity | 988.23285 |
Chemical Identifiers
| CAS Number | 892736-13-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C=NN2)/C=C/C3=NC(=O)NC(=C3)C(F)(F)F |
Product Overview
BAS 09688694 (CAS 892736-13-9), with molecular formula C17H13F3N4O2 and molecular weight 362.10 g/mol. IUPAC: 4-[(E)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
Chemical Property Profile of BAS 09688694
Property Insights of BAS 09688694
The XLogP value of 3.3578 indicates that BAS 09688694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09688694. Following Lipinski's Rule of Five, BAS 09688694 has 2 hydrogen bond donor(s) and 4 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 BAS 09688694?
The CAS number of BAS 09688694 is 892736-13-9.
What is the molecular formula of BAS 09688694?
The molecular formula of BAS 09688694 is C17H13F3N4O2.
What is the molecular weight of BAS 09688694?
The molecular weight of BAS 09688694 is 362.10 g/mol.
Where can I buy BAS 09688694?
You can request a quote for BAS 09688694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09688694?
Yes, KEHONG BIO provides custom synthesis services for BAS 09688694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.