AE-641/12113103
TL;DR: AE-641/12113103 (CAS 325735-75-9) is a chemical compound with molecular formula C22H24Cl2N2O4 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2,4-dichlorophenoxy)butan-1-one
Also Known As: AE-641/12113103, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2,4-dichlorophenoxy)butan-1-one, 1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-4-(2,4-dichlorophenoxy)butan-1-one, 1-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-4-(2,4-dichloropheno xy)butan-1-one, 1-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-4-(2,4-DICHLOROPHENOXY)BUTAN-1-ONE
| Molecular Formula | C22H24Cl2N2O4 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 4.2255 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.1113 |
| Heavy Atoms | 30 |
| Complexity | 900.7014 |
Chemical Identifiers
| CAS Number | 325735-75-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCOC4=C(C=C(C=C4)Cl)Cl |
Product Overview
AE-641/12113103 (CAS 325735-75-9), with molecular formula C22H24Cl2N2O4 and molecular weight 450.11 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2,4-dichlorophenoxy)butan-1-one.
Chemical Property Profile of AE-641/12113103
Property Insights of AE-641/12113103
The XLogP value of 4.2255 indicates that AE-641/12113103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, AE-641/12113103 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/12113103 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 AE-641/12113103?
The CAS number of AE-641/12113103 is 325735-75-9.
What is the molecular formula of AE-641/12113103?
The molecular formula of AE-641/12113103 is C22H24Cl2N2O4.
What is the molecular weight of AE-641/12113103?
The molecular weight of AE-641/12113103 is 450.11 g/mol.
Where can I buy AE-641/12113103?
You can request a quote for AE-641/12113103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12113103?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12113103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.