AP-970/41853123
TL;DR: AP-970/41853123 (CAS 667907-54-2) is a chemical compound with molecular formula C29H31N3O2 and molecular weight 453.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-acetylphenyl)iminomethyl]-2-[4-(1-adamantyl)phenyl]-5-methyl-1H-pyrazol-3-one
Also Known As: AP-970/41853123, (4Z)-4-[(4-acetylanilino)methylidene]-2-[4-(1-adamantyl)phenyl]-5-methylpyrazol-3-one, (4E)-4-{[(4-acetylphenyl)amino]methylidene}-5-methyl-2-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}-2,4-dihydro-3H-pyrazol-3-one, 4-[(4-acetylanilino)methylene]-2-[4-(1-adamantyl)phenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(4-acetylanilino)methylidene]-2-[4-(1-adamantyl)phenyl]-5-methylpyrazol-3-one
| Molecular Formula | C29H31N3O2 |
|---|---|
| Molecular Weight | 453.24 g/mol |
| LogP | 5.89502 |
| Topological Polar Surface Area | 67.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.24164 |
| Heavy Atoms | 34 |
| Complexity | 1289.9062 |
Chemical Identifiers
| CAS Number | 667907-54-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C=NC6=CC=C(C=C6)C(=O)C |
Product Overview
AP-970/41853123 (CAS 667907-54-2), with molecular formula C29H31N3O2 and molecular weight 453.24 g/mol. IUPAC: 4-[(4-acetylphenyl)iminomethyl]-2-[4-(1-adamantyl)phenyl]-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of AP-970/41853123
Property Insights of AP-970/41853123
The XLogP value of 5.89502 indicates that AP-970/41853123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/41853123. Following Lipinski's Rule of Five, AP-970/41853123 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-970/41853123?
The CAS number of AP-970/41853123 is 667907-54-2.
What is the molecular formula of AP-970/41853123?
The molecular formula of AP-970/41853123 is C29H31N3O2.
What is the molecular weight of AP-970/41853123?
The molecular weight of AP-970/41853123 is 453.24 g/mol.
Where can I buy AP-970/41853123?
You can request a quote for AP-970/41853123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/41853123?
Yes, KEHONG BIO provides custom synthesis services for AP-970/41853123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.