N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
TL;DR: N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide (CAS 451466-15-2) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, F0916-6196, N-butan-2-yl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide, N-(butan-2-yl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.64429 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 1133.6793 |
Chemical Identifiers
| CAS Number | 451466-15-2 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC |
Product Overview
N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide (CAS 451466-15-2), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: N-butan-2-yl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Property Insights of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
The XLogP value of 3.64429 indicates that N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide. Following Lipinski's Rule of Five, N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide 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 N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
The CAS number of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide is 451466-15-2.
What is the molecular formula of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
The molecular formula of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide is C21H23N3O3S.
What is the molecular weight of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
The molecular weight of N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide is 397.15 g/mol.
Where can I buy N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
You can request a quote for N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(sec-butyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.