N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide (CAS 689769-32-2) is a chemical compound with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide, N-(1,3-benzodioxol-5-ylmethyl)-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl]hexanamide, N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)hexanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-(6-morpholino-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
| Molecular Formula | C26H30N4O5S |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 3.50119 |
| Topological Polar Surface Area | 97.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.1937 |
| Heavy Atoms | 36 |
| Complexity | 1362.6772 |
Chemical Identifiers
| CAS Number | 689769-32-2 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide (CAS 689769-32-2), with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
The XLogP value of 3.50119 indicates that N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is 689769-32-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is C26H30N4O5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is 510.19 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.