![2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide structure](/static/products/6897/689757-58-2.webp)
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide
TL;DR: 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide (CAS 689757-58-2) is a chemical compound with molecular formula C31H32N4O5S and molecular weight 572.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide
Also Known As: 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide, F3168-2428, 2-((3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(m-tolyl)butanamide, 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide
| Molecular Formula | C31H32N4O5S |
|---|---|
| Molecular Weight | 572.21 g/mol |
| LogP | 4.82792 |
| Topological Polar Surface Area | 94.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.20935 |
| Heavy Atoms | 41 |
| Complexity | 1649.8785 |
Chemical Identifiers
| CAS Number | 689757-58-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6 |
Product Overview
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide (CAS 689757-58-2), with molecular formula C31H32N4O5S and molecular weight 572.21 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide.
Chemical Property Profile of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide
Property Insights of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide
The XLogP value of 4.82792 indicates that 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide. Following Lipinski's Rule of Five, 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide 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 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide?
The CAS number of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide is 689757-58-2.
What is the molecular formula of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide?
The molecular formula of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide is C31H32N4O5S.
What is the molecular weight of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide?
The molecular weight of 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide is 572.21 g/mol.
Where can I buy 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide?
You can request a quote for 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-methylphenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.