2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
TL;DR: 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (CAS 488121-99-9) is a chemical compound with molecular formula C20H18IN3O2S and molecular weight 491.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
Also Known As: 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide, 2-((3-allyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(o-tolyl)acetamide, 2-(6-iodo-4-oxo-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide, 2-{[6-iodo-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C20H18IN3O2S |
|---|---|
| Molecular Weight | 491.02 g/mol |
| LogP | 4.22632 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.01645 |
| Heavy Atoms | 27 |
| Complexity | 1078.5001 |
Chemical Identifiers
| CAS Number | 488121-99-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC=C |
Product Overview
2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (CAS 488121-99-9), with molecular formula C20H18IN3O2S and molecular weight 491.02 g/mol. IUPAC: 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
Property Insights of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
The XLogP value of 4.22632 indicates that 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The CAS number of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is 488121-99-9.
What is the molecular formula of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The molecular formula of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is C20H18IN3O2S.
What is the molecular weight of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The molecular weight of 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is 491.02 g/mol.
Where can I buy 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
You can request a quote for 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.