4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione
TL;DR: 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione (CAS 688356-00-5) is a chemical compound with molecular formula C14H9F2N3S and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-difluoroanilino)-1H-quinazoline-2-thione
Also Known As: 4-(3,4-difluoroanilino)-1H-quinazoline-2-thione, 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione, 4-[(3,4-difluorophenyl)amino]-1,2-dihydroquinazoline-2-thione, 4-[(3,4-difluorophenyl)amino]-1H-quinazoline-2-thione, F0918-7031
| Molecular Formula | C14H9F2N3S |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 4.31419 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.04852 |
| Heavy Atoms | 20 |
| Complexity | 845.1869 |
Chemical Identifiers
| CAS Number | 688356-00-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=S)N2)NC3=CC(=C(C=C3)F)F |
Product Overview
4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione (CAS 688356-00-5), with molecular formula C14H9F2N3S and molecular weight 289.05 g/mol. IUPAC: 4-(3,4-difluoroanilino)-1H-quinazoline-2-thione.
Chemical Property Profile of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione
Property Insights of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione
The XLogP value of 4.31419 indicates that 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.71 Ų, 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione has 2 hydrogen bond donor(s) and 3 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 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione?
The CAS number of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione is 688356-00-5.
What is the molecular formula of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione?
The molecular formula of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione is C14H9F2N3S.
What is the molecular weight of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione?
The molecular weight of 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione is 289.05 g/mol.
Where can I buy 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione?
You can request a quote for 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,4-difluorophenyl)amino)quinazoline-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.