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4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
TL;DR: 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 128483-28-3) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
Also Known As: 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione, 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione, 4-(3,4,5-TRIMETHOXYPHENYL)-1H,2H,3H,4H,5H,6H-BENZO[H]QUINAZOLINE-2-THIONE
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.5887 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 913.7691 |
Chemical Identifiers
| CAS Number | 128483-28-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2 |
Product Overview
4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 128483-28-3), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione.
Chemical Property Profile of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Property Insights of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
The XLogP value of 3.5887 indicates that 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.75 Ų, 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione has 2 hydrogen bond donor(s) and 4 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-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The CAS number of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 128483-28-3.
What is the molecular formula of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The molecular formula of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is C21H22N2O3S.
What is the molecular weight of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The molecular weight of 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 382.14 g/mol.
Where can I buy 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
You can request a quote for 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.