Chlorobenzodioxole deriv. 28
TL;DR: Chlorobenzodioxole deriv. 28 (CAS 401810-91-1) is a chemical compound with molecular formula C24H27ClN4O4 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
Also Known As: Chlorobenzodioxole deriv. 28, BMCL182776 Compound 1, KX2-328, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine, J3.002.191F
| Molecular Formula | C24H27ClN4O4 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 5.0189 |
| Topological Polar Surface Area | 77.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.1721 |
| Heavy Atoms | 33 |
| Complexity | 1137.1376 |
Chemical Identifiers
| CAS Number | 401810-91-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCCCN5CCCCC5 |
Product Overview
Chlorobenzodioxole deriv. 28 (CAS 401810-91-1), with molecular formula C24H27ClN4O4 and molecular weight 470.17 g/mol. IUPAC: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine.
Chemical Property Profile of Chlorobenzodioxole deriv. 28
Property Insights of Chlorobenzodioxole deriv. 28
The XLogP value of 5.0189 indicates that Chlorobenzodioxole deriv. 28 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorobenzodioxole deriv. 28. Following Lipinski's Rule of Five, Chlorobenzodioxole deriv. 28 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorobenzodioxole deriv. 28?
The CAS number of Chlorobenzodioxole deriv. 28 is 401810-91-1.
What is the molecular formula of Chlorobenzodioxole deriv. 28?
The molecular formula of Chlorobenzodioxole deriv. 28 is C24H27ClN4O4.
What is the molecular weight of Chlorobenzodioxole deriv. 28?
The molecular weight of Chlorobenzodioxole deriv. 28 is 470.17 g/mol.
Where can I buy Chlorobenzodioxole deriv. 28?
You can request a quote for Chlorobenzodioxole deriv. 28 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorobenzodioxole deriv. 28?
Yes, KEHONG BIO provides custom synthesis services for Chlorobenzodioxole deriv. 28 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.