Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-
TL;DR: Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- (CAS 86971-02-0) is a chemical compound with molecular formula C17H23N3O8 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,6R,7R,8R,8aS)-2-acetamido-8a-acetyl-8-acetyloxy-6-hydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-7-yl] acetate
Also Known As: Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-, [(4aS,6R,7R,8R,8aS)-2-acetamido-8a-acetyl-8-acetyloxy-6-hydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-7-yl] acetate, Acetamide,N-[8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl]-,(4aa,6a,7a,8a,8aa)- (9CI), N-[(4aS,6R,7R,8R,8aS)-8a-Acetyl-7,8-bis(acetyloxy)-4,6-dihydroxy-6-methyl-4a,5,6,7,8,8a-hexahydroquinazolin-2-yl]ethanimidic acid, N-[8a-Acetyl-7,8-bis(acetyloxy)-4,6-dihydroxy-6-methyl-4a,5,6,7,8,8a-hexahydroquinazolin-2-yl]ethanimidic acid
| Molecular Formula | C17H23N3O8 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.14853 |
| Heavy Atoms | 28 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 86971-02-0 |
|---|---|
| SMILES | CC(=O)[C@]12[C@H](C[C@@]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)(C)O)C(=O)NC(=N2)NC(=O)C |
| InChIKey | OOEWKAKUBPVIDR-XRQSXFTLSA-N |
Product Overview
Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- (CAS 86971-02-0), with molecular formula C17H23N3O8 and molecular weight 397.15 g/mol. IUPAC: [(4aS,6R,7R,8R,8aS)-2-acetamido-8a-acetyl-8-acetyloxy-6-hydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-7-yl] acetate.
Chemical Property Profile of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-
Property Insights of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-
The XLogP value of -2.0 indicates that Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- has 3 hydrogen bond donor(s) and 9 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 Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-?
The CAS number of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- is 86971-02-0.
What is the molecular formula of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-?
The molecular formula of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- is C17H23N3O8.
What is the molecular weight of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-?
The molecular weight of Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- is 397.15 g/mol.
Where can I buy Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-?
You can request a quote for Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.