A2828/0119462
TL;DR: A2828/0119462 (CAS 442667-05-2) is a chemical compound with molecular formula C22H20IN3O2 and molecular weight 485.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one
Also Known As: A2828/0119462, (E)-3-(3-hydroxypropyl)-6-iodo-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one, 2-[(1E)-2-(1-methylindol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-3-hydroquinazo lin-4-one, 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one, 3-(3-HYDROXYPROPYL)-6-IODO-2-[(E)-2-(1-METHYL-1H-INDOL-3-YL)-1-ETHENYL]-4(3H)-QUINAZOLINONE
| Molecular Formula | C22H20IN3O2 |
|---|---|
| Molecular Weight | 485.06 g/mol |
| LogP | 4.0456 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.06003 |
| Heavy Atoms | 28 |
| Complexity | 1254.0905 |
Chemical Identifiers
| CAS Number | 442667-05-2 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CCCO |
Product Overview
A2828/0119462 (CAS 442667-05-2), with molecular formula C22H20IN3O2 and molecular weight 485.06 g/mol. IUPAC: 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one.
Chemical Property Profile of A2828/0119462
Property Insights of A2828/0119462
The XLogP value of 4.0456 indicates that A2828/0119462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A2828/0119462. Following Lipinski's Rule of Five, A2828/0119462 has 1 hydrogen bond donor(s) and 3 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 A2828/0119462?
The CAS number of A2828/0119462 is 442667-05-2.
What is the molecular formula of A2828/0119462?
The molecular formula of A2828/0119462 is C22H20IN3O2.
What is the molecular weight of A2828/0119462?
The molecular weight of A2828/0119462 is 485.06 g/mol.
Where can I buy A2828/0119462?
You can request a quote for A2828/0119462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2828/0119462?
Yes, KEHONG BIO provides custom synthesis services for A2828/0119462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.