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Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate (CAS 688356-10-7) is a chemical compound with molecular formula C18H15F2N3O2S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate
Also Known As: BRD-K10291868-001-01-7, ethyl 2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)acetate, ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate, F6548-4705, ethyl ({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}thio)acetate
| Molecular Formula | C18H15F2N3O2S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 4.3068 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.0853 |
| Heavy Atoms | 26 |
| Complexity | 952.86755 |
Chemical Identifiers
| CAS Number | 688356-10-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F |
Product Overview
Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate (CAS 688356-10-7), with molecular formula C18H15F2N3O2S and molecular weight 375.09 g/mol. IUPAC: ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate
The XLogP value of 4.3068 indicates that Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate 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 Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate is 688356-10-7.
What is the molecular formula of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate is C18H15F2N3O2S.
What is the molecular weight of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate is 375.09 g/mol.
Where can I buy Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.