AV-412 free base
TL;DR: AV-412 free base (CAS 451492-95-8) is a chemical compound with molecular formula C27H28ClFN6O and molecular weight 506.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide
Also Known As: AV-412 free base, AV-412 (free base), AV-412(freebase), MP-412 free base, AV412(Free base)
| Molecular Formula | C27H28ClFN6O |
|---|---|
| Molecular Weight | 506.20 g/mol |
| LogP | 4.6679 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.1997 |
| Heavy Atoms | 36 |
| Complexity | 1371.917 |
Chemical Identifiers
| CAS Number | 451492-95-8 |
|---|---|
| SMILES | CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C |
Product Overview
AV-412 free base (CAS 451492-95-8), with molecular formula C27H28ClFN6O and molecular weight 506.20 g/mol. IUPAC: N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide.
Chemical Property Profile of AV-412 free base
Property Insights of AV-412 free base
The XLogP value of 4.6679 indicates that AV-412 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AV-412 free base. Following Lipinski's Rule of Five, AV-412 free base has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AV-412 free base?
The CAS number of AV-412 free base is 451492-95-8.
What is the molecular formula of AV-412 free base?
The molecular formula of AV-412 free base is C27H28ClFN6O.
What is the molecular weight of AV-412 free base?
The molecular weight of AV-412 free base is 506.20 g/mol.
Where can I buy AV-412 free base?
You can request a quote for AV-412 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AV-412 free base?
Yes, KEHONG BIO provides custom synthesis services for AV-412 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.