1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 96111-77-2) is a chemical compound with molecular formula C21H29N3S and molecular weight 355.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(diethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 1-(3-diethylaminopropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione, 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 1-[3-(diethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 1-[3-(diethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
| Molecular Formula | C21H29N3S |
|---|---|
| Molecular Weight | 355.21 g/mol |
| LogP | 4.89029 |
| Topological Polar Surface Area | 21.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.20822 |
| Heavy Atoms | 25 |
| Complexity | 747.72675 |
Chemical Identifiers
| CAS Number | 96111-77-2 |
|---|---|
| SMILES | CCN(CC)CCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 |
Product Overview
1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 96111-77-2), with molecular formula C21H29N3S and molecular weight 355.21 g/mol. IUPAC: 1-[3-(diethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 4.89029 indicates that 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.06 Ų, 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione has 0 hydrogen bond donor(s) and 3 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 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 96111-77-2.
What is the molecular formula of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C21H29N3S.
What is the molecular weight of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 355.21 g/mol.
Where can I buy 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(diethylamino)propyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.