2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone
TL;DR: 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone (CAS 80930-91-2) is a chemical compound with molecular formula C22H24IN3O and molecular weight 473.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one
Also Known As: 2-Homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone, 2-((Hexahydro-1H-azepin-1-yl)methyl)-6-iodo-3-(2-methylphenyl)-4(3H)-quinazolinone, 2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one, 2-Homopiperidinomethyl-3-(o-tolyl)-4(3H)-6-iodoquinazolone, 4(3H)-Quinazolinone, 2-((hexahydro-1H-azepin-1-yl)methyl)-6-iodo-3-(2-methylphenyl)-
| Molecular Formula | C22H24IN3O |
|---|---|
| Molecular Weight | 473.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.0964 |
| Heavy Atoms | 27 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 80930-91-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4CCCCCC4 |
| InChIKey | CUSBTMBNTIPIBQ-UHFFFAOYSA-N |
Product Overview
2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone (CAS 80930-91-2), with molecular formula C22H24IN3O and molecular weight 473.10 g/mol. IUPAC: 2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone
Property Insights of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone
The XLogP value of 4.4 indicates that 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone has 0 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 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone?
The CAS number of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone is 80930-91-2.
What is the molecular formula of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone?
The molecular formula of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone is C22H24IN3O.
What is the molecular weight of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone?
The molecular weight of 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone is 473.10 g/mol.
Where can I buy 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone?
You can request a quote for 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone?
Yes, KEHONG BIO provides custom synthesis services for 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.