2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate
TL;DR: 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate (CAS 303987-63-5) is a chemical compound with molecular formula C16H15ClN2O2S and molecular weight 334.05 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-chlorobenzoate
Also Known As: 2-(methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate, (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-chlorobenzoate, 2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4-yl 3-chlorobenzoate, 2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4-yl3-chlorobenzoate
| Molecular Formula | C16H15ClN2O2S |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.9499 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0543 |
| Heavy Atoms | 22 |
| Complexity | 721.2872 |
Chemical Identifiers
| CAS Number | 303987-63-5 |
|---|---|
| SMILES | CSC1=NC2=C(CCCC2)C(=N1)OC(=O)C3=CC(=CC=C3)Cl |
Product Overview
2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate (CAS 303987-63-5), with molecular formula C16H15ClN2O2S and molecular weight 334.05 g/mol. IUPAC: (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) 3-chlorobenzoate.
Chemical Property Profile of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate
Property Insights of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate
The XLogP value of 3.9499 indicates that 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate 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-chlorobenzenecarboxylate 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-chlorobenzenecarboxylate 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-chlorobenzenecarboxylate?
The CAS number of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate is 303987-63-5.
What is the molecular formula of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate?
The molecular formula of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate is C16H15ClN2O2S.
What is the molecular weight of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate?
The molecular weight of 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate is 334.05 g/mol.
Where can I buy 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate?
You can request a quote for 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate 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-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.