Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-
TL;DR: Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- (CAS 86971-04-2) is a chemical compound with molecular formula C17H21N3O7 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxoethyl] acetate
Also Known As: Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-, [2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxoethyl] acetate, Acetamide,N-[8-(acetyloxy)-8a-[(acetyloxy)acetyl]-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl]-,(4aa,8a,8aa)- (9CI), N-{(4aS,8S,8aS)-8-(Acetyloxy)-8a-[(acetyloxy)acetyl]-4-hydroxy-6-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl}ethanimidic acid, N-{8-(Acetyloxy)-8a-[(acetyloxy)acetyl]-4-hydroxy-6-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl}ethanimidic acid
| Molecular Formula | C17H21N3O7 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.13794 |
| Heavy Atoms | 27 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 86971-04-2 |
|---|---|
| SMILES | CC1=C[C@@H]([C@@]2([C@H](C1)C(=O)NC(=N2)NC(=O)C)C(=O)COC(=O)C)OC(=O)C |
| InChIKey | UCAIDGDMOOBGSO-HACGYAERSA-N |
Product Overview
Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- (CAS 86971-04-2), with molecular formula C17H21N3O7 and molecular weight 379.14 g/mol. IUPAC: [2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-
Property Insights of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-
The XLogP value of -1.2 indicates that Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- has 2 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 Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-?
The CAS number of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- is 86971-04-2.
What is the molecular formula of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-?
The molecular formula of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- is C17H21N3O7.
What is the molecular weight of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-?
The molecular weight of Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- is 379.14 g/mol.
Where can I buy Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-?
You can request a quote for Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,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-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(8-(acetyloxy)-8a-((acetyloxy)acetyl)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-,(4aalpha,8alpha,8aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.