AN-698/40780076
TL;DR: AN-698/40780076 (CAS 431915-17-2) is a chemical compound with molecular formula C22H20N4O and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: AN-698/40780076, (4E)-4-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4E)-4-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-{(E)-1-[2,5-DIMETHYL-1-(4-PYRIDYL)-1H-PYRROL-3-YL]METHYLIDENE}-5-METHYL-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE, 4-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C22H20N4O |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.29524 |
| Topological Polar Surface Area | 50.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.1637 |
| Heavy Atoms | 27 |
| Complexity | 1062.452 |
Chemical Identifiers
| CAS Number | 431915-17-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C |
Product Overview
AN-698/40780076 (CAS 431915-17-2), with molecular formula C22H20N4O and molecular weight 356.16 g/mol. IUPAC: (4E)-4-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of AN-698/40780076
Property Insights of AN-698/40780076
The XLogP value of 4.29524 indicates that AN-698/40780076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.49 Ų, AN-698/40780076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40780076 has 0 hydrogen bond donor(s) and 3 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 AN-698/40780076?
The CAS number of AN-698/40780076 is 431915-17-2.
What is the molecular formula of AN-698/40780076?
The molecular formula of AN-698/40780076 is C22H20N4O.
What is the molecular weight of AN-698/40780076?
The molecular weight of AN-698/40780076 is 356.16 g/mol.
Where can I buy AN-698/40780076?
You can request a quote for AN-698/40780076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40780076?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40780076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.