AN-465/40838680
TL;DR: AN-465/40838680 (CAS 429636-72-6) is a chemical compound with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3-chloro-2-methylphenyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one
Also Known As: AN-465/40838680, (4E)-2-(3-chloro-2-methylphenyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one, 2-(3-chloro-2-methylphenyl)-5-methyl-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H21ClN2O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.48032 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.119 |
| Heavy Atoms | 28 |
| Complexity | 972.8904 |
Chemical Identifiers
| CAS Number | 429636-72-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C(=N2)C |
Product Overview
AN-465/40838680 (CAS 429636-72-6), with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol. IUPAC: (4E)-2-(3-chloro-2-methylphenyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one.
Chemical Property Profile of AN-465/40838680
Property Insights of AN-465/40838680
The XLogP value of 4.48032 indicates that AN-465/40838680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/40838680. Following Lipinski's Rule of Five, AN-465/40838680 has 0 hydrogen bond donor(s) and 5 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-465/40838680?
The CAS number of AN-465/40838680 is 429636-72-6.
What is the molecular formula of AN-465/40838680?
The molecular formula of AN-465/40838680 is C21H21ClN2O4.
What is the molecular weight of AN-465/40838680?
The molecular weight of AN-465/40838680 is 400.12 g/mol.
Where can I buy AN-465/40838680?
You can request a quote for AN-465/40838680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/40838680?
Yes, KEHONG BIO provides custom synthesis services for AN-465/40838680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.