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Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate (CAS 688356-33-4) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate
Also Known As: ethyl 2-({4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)acetate, ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate, F6548-4721, ethyl ({4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl}thio)acetate, ethyl 2-((4-((3,5-dimethoxyphenyl)amino)quinazolin-2-yl)thio)acetate
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.0458 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 958.5721 |
Chemical Identifiers
| CAS Number | 688356-33-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)OC)OC |
Product Overview
Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate (CAS 688356-33-4), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate
The XLogP value of 4.0458 indicates that Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate has 1 hydrogen bond donor(s) and 8 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-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate is 688356-33-4.
What is the molecular formula of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate is C20H21N3O4S.
What is the molecular weight of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate is 399.13 g/mol.
Where can I buy Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[4-(3,5-dimethoxyanilino)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-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.