AN-655/14411006
TL;DR: AN-655/14411006 (CAS 354779-18-3) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-5-methyl-2-(4-methylphenyl)-4-[(4-propan-2-yloxyphenyl)methylidene]pyrazol-3-one
Also Known As: AN-655/14411006, (4Z)-5-methyl-2-(4-methylphenyl)-4-[(4-propan-2-yloxyphenyl)methylidene]pyrazol-3-one, 4-(4-isopropoxybenzylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.58832 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 831.2047 |
Chemical Identifiers
| CAS Number | 354779-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OC(C)C)/C(=N2)C |
Product Overview
AN-655/14411006 (CAS 354779-18-3), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: (4Z)-5-methyl-2-(4-methylphenyl)-4-[(4-propan-2-yloxyphenyl)methylidene]pyrazol-3-one.
Chemical Property Profile of AN-655/14411006
Property Insights of AN-655/14411006
The XLogP value of 4.58832 indicates that AN-655/14411006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, AN-655/14411006 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/14411006 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-655/14411006?
The CAS number of AN-655/14411006 is 354779-18-3.
What is the molecular formula of AN-655/14411006?
The molecular formula of AN-655/14411006 is C21H22N2O2.
What is the molecular weight of AN-655/14411006?
The molecular weight of AN-655/14411006 is 334.17 g/mol.
Where can I buy AN-655/14411006?
You can request a quote for AN-655/14411006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14411006?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14411006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.