(4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate
TL;DR: (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate (CAS 87067-99-0) is a chemical compound with molecular formula C15H21N3O7 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,6S,7S,8R,8aS)-2-acetamido-8a-acetyl-6,7-dihydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl] acetate
Also Known As: (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate, [(4aS,6S,7S,8R,8aS)-2-acetamido-8a-acetyl-6,7-dihydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl] acetate, Acetamide, N-(8a-acetyl-8-(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6,7-dihydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6beta,7beta,8alpha,8aalpha)-
| Molecular Formula | C15H21N3O7 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.13794 |
| Heavy Atoms | 25 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 87067-99-0 |
|---|---|
| SMILES | CC(=O)[C@]12[C@H](C[C@]([C@H]([C@@H]1OC(=O)C)O)(C)O)C(=O)NC(=N2)NC(=O)C |
| InChIKey | WZJXTQSXSYWOIB-SHTIJGAHSA-N |
Product Overview
(4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate (CAS 87067-99-0), with molecular formula C15H21N3O7 and molecular weight 355.14 g/mol. IUPAC: [(4aS,6S,7S,8R,8aS)-2-acetamido-8a-acetyl-6,7-dihydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl] acetate.
Chemical Property Profile of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate
Property Insights of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate
The XLogP value of -2.6 indicates that (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate has 4 hydrogen bond donor(s) and 8 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 (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate?
The CAS number of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate is 87067-99-0.
What is the molecular formula of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate?
The molecular formula of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate is C15H21N3O7.
What is the molecular weight of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate?
The molecular weight of (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate is 355.14 g/mol.
Where can I buy (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate?
You can request a quote for (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (4as,6s,7s,8r,8as)-8a-acetyl-2-(acetylamino)-6,7-dihydroxy-6-methyl-4-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-8-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.