TimTec1_001527
TL;DR: TimTec1_001527 (CAS 307346-84-5) is a chemical compound with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenoxy]acetic acid
Also Known As: TimTec1_001527, 2-[2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenoxy]acetic acid, (E)-2-(2-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)phenoxy)acetic acid, [2-((E)-{[4-(4-chlorobenzyl)-1-piperazinyl]imino}methyl)phenoxy]acetic acid, {2-[(E)-{[4-(4-chlorobenzyl)piperazin-1-yl]imino}methyl]phenoxy}acetic acid
| Molecular Formula | C20H22ClN3O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 2.9551 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.13498 |
| Heavy Atoms | 27 |
| Complexity | 787.3139 |
Chemical Identifiers
| CAS Number | 307346-84-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Cl)/N=C/C3=CC=CC=C3OCC(=O)O |
Product Overview
TimTec1_001527 (CAS 307346-84-5), with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol. IUPAC: 2-[2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenoxy]acetic acid.
Chemical Property Profile of TimTec1_001527
Property Insights of TimTec1_001527
The XLogP value of 2.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_001527. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001527. Following Lipinski's Rule of Five, TimTec1_001527 has 1 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 TimTec1_001527?
The CAS number of TimTec1_001527 is 307346-84-5.
What is the molecular formula of TimTec1_001527?
The molecular formula of TimTec1_001527 is C20H22ClN3O3.
What is the molecular weight of TimTec1_001527?
The molecular weight of TimTec1_001527 is 387.13 g/mol.
Where can I buy TimTec1_001527?
You can request a quote for TimTec1_001527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001527?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.