![Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate structure](/static/products/1074/107466-59-1.webp)
Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate
TL;DR: Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate (CAS 107466-59-1) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate
Also Known As: IFLab1_005953, IDI1_011356, BAS 06195433, methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate, methyl 2-((2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetate
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 107466-59-1 |
|---|---|
| SMILES | COC(=O)CSC1=NC(=NC2=C1CCCC2)C3=CC=CC=C3 |
| InChIKey | LGFRTQWOTFTCNY-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate (CAS 107466-59-1), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate
Property Insights of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate
The XLogP value of 3.9 indicates that Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate?
The CAS number of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate is 107466-59-1.
What is the molecular formula of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate?
The molecular formula of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate is C17H18N2O2S.
What is the molecular weight of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate?
The molecular weight of Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate is 314.11 g/mol.
Where can I buy Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate?
You can request a quote for Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.