N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide
TL;DR: N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide (CAS 86971-08-6) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aS,8aR)-8a-acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide
Also Known As: N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide, N-[(4aS,8aR)-8a-acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide, N-(8a-Acetyl-4-hydroxy-7-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl)ethanimidic acid, N-[(4aS,8aR)-8a-Acetyl-4-hydroxy-7-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl]ethanimidic acid
| Molecular Formula | C13H17N3O3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.12698 |
| Heavy Atoms | 19 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 86971-08-6 |
|---|---|
| SMILES | CC1=CC[C@@H]2C(=O)NC(=N[C@@]2(C1)C(=O)C)NC(=O)C |
| InChIKey | VPVWENRSLJUARU-MFKMUULPSA-N |
Product Overview
N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide (CAS 86971-08-6), with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol. IUPAC: N-[(4aS,8aR)-8a-acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide.
Chemical Property Profile of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide
Property Insights of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide
The XLogP value of -0.6 indicates that N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide. Following Lipinski's Rule of Five, N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide 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-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide?
The CAS number of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide is 86971-08-6.
What is the molecular formula of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide?
The molecular formula of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide is C13H17N3O3.
What is the molecular weight of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide?
The molecular weight of N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide is 263.13 g/mol.
Where can I buy N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide?
You can request a quote for N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4aS,8aR)-8a-Acetyl-7-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.