EX-A11331
TL;DR: EX-A11331 (CAS 113594-64-2) is a chemical compound with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
Also Known As: EX-A11331, (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate, 4-Methoxyphenyl 2-(4-(3,4,5-trimethoxybenzyl)piperazin-1-yl)acetate, 1-[(4-methoxyphenoxy)carbonylmethyl]-4-(3,4,5-trimethoxybenzyl)piperazine, 4-(3,4,5-Trimethoxybenzyl)piperazine-1-acetic acid 4-methoxyphenyl ester
| Molecular Formula | C23H30N2O6 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.2104 |
| Heavy Atoms | 31 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 113594-64-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | RVYZAZTXLLAVGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EX-A11331 (CAS 113594-64-2), with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol. IUPAC: (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate.
Chemical Property Profile of EX-A11331
Property Insights of EX-A11331
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EX-A11331. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for EX-A11331. Following Lipinski's Rule of Five, EX-A11331 has 0 hydrogen bond donor(s) and 8 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 EX-A11331?
The CAS number of EX-A11331 is 113594-64-2.
What is the molecular formula of EX-A11331?
The molecular formula of EX-A11331 is C23H30N2O6.
What is the molecular weight of EX-A11331?
The molecular weight of EX-A11331 is 430.21 g/mol.
Where can I buy EX-A11331?
You can request a quote for EX-A11331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A11331?
Yes, KEHONG BIO provides custom synthesis services for EX-A11331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.