AB00100253-01
TL;DR: AB00100253-01 (CAS 423155-07-1) is a chemical compound with molecular formula C20H23BrN2O3 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
Also Known As: AB00100253-01, 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine, 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine, 1-(4-bromobenzyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine, 6-{[4-(4-bromobenzyl)-1-piperazinyl]methyl}-1,3-benzodioxol-4-yl methyl ether
| Molecular Formula | C20H23BrN2O3 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 3.5042 |
| Topological Polar Surface Area | 34.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0892 |
| Heavy Atoms | 26 |
| Complexity | 758.3968 |
Chemical Identifiers
| CAS Number | 423155-07-1 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC=C(C=C4)Br |
Product Overview
AB00100253-01 (CAS 423155-07-1), with molecular formula C20H23BrN2O3 and molecular weight 418.09 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine.
Chemical Property Profile of AB00100253-01
Property Insights of AB00100253-01
The XLogP value of 3.5042 indicates that AB00100253-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.17 Ų, AB00100253-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00100253-01 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 AB00100253-01?
The CAS number of AB00100253-01 is 423155-07-1.
What is the molecular formula of AB00100253-01?
The molecular formula of AB00100253-01 is C20H23BrN2O3.
What is the molecular weight of AB00100253-01?
The molecular weight of AB00100253-01 is 418.09 g/mol.
Where can I buy AB00100253-01?
You can request a quote for AB00100253-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100253-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100253-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.