![N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide structure](/static/products/7875/787559-52-8.webp)
N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
TL;DR: N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide (CAS 787559-52-8) is a chemical compound with molecular formula C23H22F2N4O3S and molecular weight 472.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C23H22F2N4O3S |
|---|---|
| Molecular Weight | 472.14 g/mol |
| LogP | 4.13368 |
| Topological Polar Surface Area | 97.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.13806 |
| Heavy Atoms | 33 |
| Complexity | 1255.2816 |
Chemical Identifiers
| CAS Number | 787559-52-8 |
|---|---|
| SMILES | CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC(F)F |
Product Overview
N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide (CAS 787559-52-8), with molecular formula C23H22F2N4O3S and molecular weight 472.14 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Property Insights of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
The XLogP value of 4.13368 indicates that N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide?
The CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide is 787559-52-8.
What is the molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide?
The molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide is C23H22F2N4O3S.
What is the molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide?
The molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide is 472.14 g/mol.
Where can I buy N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide?
You can request a quote for N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1,2-dimethylpropyl)-2-({3-[4-(difluoromethoxy)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.