2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate
TL;DR: 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate (CAS 303987-64-6) 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.
(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate
Also Known As: 2-(methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate, 2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4-yl 3-methylbenzoate, (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate, 2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4-yl3-methylbenzoate
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.60492 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 715.8003 |
Chemical Identifiers
| CAS Number | 303987-64-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=NC(=NC3=C2CCCC3)SC |
Product Overview
2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate (CAS 303987-64-6), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-methylbenzoate.
Chemical Property Profile of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate
Property Insights of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate
The XLogP value of 3.60492 indicates that 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate 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 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate?
The CAS number of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate is 303987-64-6.
What is the molecular formula of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate?
The molecular formula of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate is C17H18N2O2S.
What is the molecular weight of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate?
The molecular weight of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate is 314.11 g/mol.
Where can I buy 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate?
You can request a quote for 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.