1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one
TL;DR: 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one (CAS 76857-07-3) is a chemical compound with molecular formula C21H21N3O and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylquinazolin-4-one
Also Known As: AN-584/43255840, BRD-K37331927-001-01-9, 1-(1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl)-2-methyl-4(1H)-quinazolinone, 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one, 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylquinazolin-
| Molecular Formula | C21H21N3O |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.16846 |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 76857-07-3 |
|---|---|
| SMILES | CC1=NC(=O)C2=CC=CC=C2N1C3=CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | QDWGOEYAIBZVHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one (CAS 76857-07-3), with molecular formula C21H21N3O and molecular weight 331.17 g/mol. IUPAC: 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylquinazolin-4-one.
Chemical Property Profile of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one
Property Insights of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 35.9 Ų, 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one has 0 hydrogen bond donor(s) and 2 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-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one?
The CAS number of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one is 76857-07-3.
What is the molecular formula of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one?
The molecular formula of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one is C21H21N3O.
What is the molecular weight of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one?
The molecular weight of 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one is 331.17 g/mol.
Where can I buy 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one?
You can request a quote for 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-methylquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.