![N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide structure](/static/products/6883/688356-13-0.webp)
N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide
TL;DR: N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide (CAS 688356-13-0) is a chemical compound with molecular formula C21H22F2N4OS and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide
Also Known As: F6548-4708, N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide, N-butyl-2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)-N-methylacetamide, N-butyl-2-((4-((3,4-difluorophenyl)amino)quinazolin-2-yl)thio)-N-methylacetamide, N-butyl-2-[4-[(3,4-difluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-methyl-acetamide
| Molecular Formula | C21H22F2N4OS |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 5.0022 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.14822 |
| Heavy Atoms | 29 |
| Complexity | 1015.1377 |
Chemical Identifiers
| CAS Number | 688356-13-0 |
|---|---|
| SMILES | CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F |
Product Overview
N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide (CAS 688356-13-0), with molecular formula C21H22F2N4OS and molecular weight 416.15 g/mol. IUPAC: N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide.
Chemical Property Profile of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide
Property Insights of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide
The XLogP value of 5.0022 indicates that N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.12 Ų, N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
The CAS number of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide is 688356-13-0.
What is the molecular formula of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
The molecular formula of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide is C21H22F2N4OS.
What is the molecular weight of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
The molecular weight of N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide is 416.15 g/mol.
Where can I buy N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
You can request a quote for N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.