4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide
TL;DR: 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide (CAS 338776-85-5) is a chemical compound with molecular formula C21H28N4S and molecular weight 368.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylsulfanyl]-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
Also Known As: Bionet1_003073, 5N-358S, 4-methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide, 2-[(4-methylphenyl)methylsulfanyl]-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline, 2-{[(4-methylphenyl)methyl]sulfanyl}-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
| Molecular Formula | C21H28N4S |
|---|---|
| Molecular Weight | 368.20 g/mol |
| LogP | 3.70792 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.20346 |
| Heavy Atoms | 26 |
| Complexity | 751.35156 |
Chemical Identifiers
| CAS Number | 338776-85-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)N4CCN(CC4)C |
Product Overview
4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide (CAS 338776-85-5), with molecular formula C21H28N4S and molecular weight 368.20 g/mol. IUPAC: 2-[(4-methylphenyl)methylsulfanyl]-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide
Property Insights of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide
The XLogP value of 3.70792 indicates that 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide 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 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide?
The CAS number of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide is 338776-85-5.
What is the molecular formula of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide?
The molecular formula of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide is C21H28N4S.
What is the molecular weight of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide?
The molecular weight of 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide is 368.20 g/mol.
Where can I buy 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide?
You can request a quote for 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzyl 4-(4-methylpiperazino)-5,6,7,8-tetrahydro-2-quinazolinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.