N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
TL;DR: N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide (CAS 451466-29-8) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide, N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.34019 |
| Topological Polar Surface Area | 87.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1108.3496 |
Chemical Identifiers
| CAS Number | 451466-29-8 |
|---|---|
| SMILES | COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S |
Product Overview
N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide (CAS 451466-29-8), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Property Insights of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
The XLogP value of 2.34019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide. The TPSA of 87.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide. Following Lipinski's Rule of Five, N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide has 2 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 N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
The CAS number of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide is 451466-29-8.
What is the molecular formula of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
The molecular formula of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide is C21H23N3O4S.
What is the molecular weight of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
The molecular weight of N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide is 413.14 g/mol.
Where can I buy N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
You can request a quote for N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-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-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.