AN-023/40916152
TL;DR: AN-023/40916152 (CAS 445459-30-3) is a chemical compound with molecular formula C21H20FIN2O3 and molecular weight 494.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(4-fluorophenyl)-4-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methylpyrazol-3-one
Also Known As: AN-023/40916152, 2-(4-fluorophenyl)-4-(3-iodo-4-isopropoxy-5-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(4-fluorophenyl)-4-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methylpyrazol-3-one
| Molecular Formula | C21H20FIN2O3 |
|---|---|
| Molecular Weight | 494.05 g/mol |
| LogP | 5.0322 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.05026 |
| Heavy Atoms | 28 |
| Complexity | 968.36115 |
Chemical Identifiers
| CAS Number | 445459-30-3 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)I)OC(C)C)OC)C3=CC=C(C=C3)F |
Product Overview
AN-023/40916152 (CAS 445459-30-3), with molecular formula C21H20FIN2O3 and molecular weight 494.05 g/mol. IUPAC: (4E)-2-(4-fluorophenyl)-4-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methylpyrazol-3-one.
Chemical Property Profile of AN-023/40916152
Property Insights of AN-023/40916152
The XLogP value of 5.0322 indicates that AN-023/40916152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, AN-023/40916152 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/40916152 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-023/40916152?
The CAS number of AN-023/40916152 is 445459-30-3.
What is the molecular formula of AN-023/40916152?
The molecular formula of AN-023/40916152 is C21H20FIN2O3.
What is the molecular weight of AN-023/40916152?
The molecular weight of AN-023/40916152 is 494.05 g/mol.
Where can I buy AN-023/40916152?
You can request a quote for AN-023/40916152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/40916152?
Yes, KEHONG BIO provides custom synthesis services for AN-023/40916152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.