AN-023/40916801
TL;DR: AN-023/40916801 (CAS 445459-39-2) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(4-ethylphenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]pyrazol-3-one
Also Known As: AN-023/40916801, (4Z)-2-(4-ethylphenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]pyrazol-3-one, 2-(4-ethylphenyl)-5-methyl-4-[(5-methyl-2-thienyl)methylene]-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(4-ethylphenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.42502 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 768.6398 |
Chemical Identifiers
| CAS Number | 445459-39-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(S3)C)/C(=N2)C |
Product Overview
AN-023/40916801 (CAS 445459-39-2), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: (4Z)-2-(4-ethylphenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]pyrazol-3-one.
Chemical Property Profile of AN-023/40916801
Property Insights of AN-023/40916801
The XLogP value of 4.42502 indicates that AN-023/40916801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, AN-023/40916801 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/40916801 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-023/40916801?
The CAS number of AN-023/40916801 is 445459-39-2.
What is the molecular formula of AN-023/40916801?
The molecular formula of AN-023/40916801 is C18H18N2OS.
What is the molecular weight of AN-023/40916801?
The molecular weight of AN-023/40916801 is 310.11 g/mol.
Where can I buy AN-023/40916801?
You can request a quote for AN-023/40916801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/40916801?
Yes, KEHONG BIO provides custom synthesis services for AN-023/40916801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.