Chlorobenzodioxole deriv. 29
TL;DR: Chlorobenzodioxole deriv. 29 (CAS 401811-07-2) is a chemical compound with molecular formula C23H16ClN5O4 and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile
Also Known As: Chlorobenzodioxole deriv. 29, 4-[({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]pyridine-2-carbonitrile, 4-[[[4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-2-pyridinecarbonitrile, 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile
| Molecular Formula | C23H16ClN5O4 |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 4.60978 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.08908 |
| Heavy Atoms | 33 |
| Complexity | 1405.9939 |
Chemical Identifiers
| CAS Number | 401811-07-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5=CC(=NC=C5)C#N |
Product Overview
Chlorobenzodioxole deriv. 29 (CAS 401811-07-2), with molecular formula C23H16ClN5O4 and molecular weight 461.09 g/mol. IUPAC: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile.
Chemical Property Profile of Chlorobenzodioxole deriv. 29
Property Insights of Chlorobenzodioxole deriv. 29
The XLogP value of 4.60978 indicates that Chlorobenzodioxole deriv. 29 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorobenzodioxole deriv. 29. Following Lipinski's Rule of Five, Chlorobenzodioxole deriv. 29 has 1 hydrogen bond donor(s) and 9 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 Chlorobenzodioxole deriv. 29?
The CAS number of Chlorobenzodioxole deriv. 29 is 401811-07-2.
What is the molecular formula of Chlorobenzodioxole deriv. 29?
The molecular formula of Chlorobenzodioxole deriv. 29 is C23H16ClN5O4.
What is the molecular weight of Chlorobenzodioxole deriv. 29?
The molecular weight of Chlorobenzodioxole deriv. 29 is 461.09 g/mol.
Where can I buy Chlorobenzodioxole deriv. 29?
You can request a quote for Chlorobenzodioxole deriv. 29 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorobenzodioxole deriv. 29?
Yes, KEHONG BIO provides custom synthesis services for Chlorobenzodioxole deriv. 29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.