6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide
TL;DR: 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide (CAS 443348-48-9) is a chemical compound with molecular formula C27H30BrN3O4S and molecular weight 571.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)hexanamide
Also Known As: 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide, F0913-3393, 6-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)hexanamide, 6-(2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-((tetrahydrofuran-2-yl)methyl)hexanamide, 6-[2-{[2-(4-bromophenyl)-2-oxoethyl]thio}-4-oxoquinazolin-3(4H)-yl]-N-(tetrahydrofuran-2-ylmethyl)hexanamide
| Molecular Formula | C27H30BrN3O4S |
|---|---|
| Molecular Weight | 571.11 g/mol |
| LogP | 4.9896 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 571.114 |
| Heavy Atoms | 36 |
| Complexity | 1256.1036 |
Chemical Identifiers
| CAS Number | 443348-48-9 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide (CAS 443348-48-9), with molecular formula C27H30BrN3O4S and molecular weight 571.11 g/mol. IUPAC: 6-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)hexanamide.
Chemical Property Profile of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide
Property Insights of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide
The XLogP value of 4.9896 indicates that 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide. Following Lipinski's Rule of Five, 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide?
The CAS number of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide is 443348-48-9.
What is the molecular formula of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide?
The molecular formula of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide is C27H30BrN3O4S.
What is the molecular weight of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide?
The molecular weight of 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide is 571.11 g/mol.
Where can I buy 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide?
You can request a quote for 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(oxolan-2-yl)methyl]hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.