Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-
TL;DR: Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- (CAS 86970-98-1) is a chemical compound with molecular formula C12H17N3O5 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-6-hydroxy-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide
Also Known As: Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-, N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-6-hydroxy-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide, N-[(4aS,8aR)-8a-(1,1-Dihydroxyethyl)-4,6-dihydroxy-4a,5,8,8a-tetrahydroquinazolin-2-yl]ethanimidic acid, N-[8a-(1,1-Dihydroxyethyl)-4,6-dihydroxy-4a,5,8,8a-tetrahydroquinazolin-2-yl]ethanimidic acid
| Molecular Formula | C12H17N3O5 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.11682 |
| Heavy Atoms | 20 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 86970-98-1 |
|---|---|
| SMILES | CC(=O)NC1=N[C@@]2(CC=C(C[C@@H]2C(=O)N1)O)C(C)(O)O |
| InChIKey | DDOYEQFLFKTXFN-PRHODGIISA-N |
Product Overview
Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- (CAS 86970-98-1), with molecular formula C12H17N3O5 and molecular weight 283.12 g/mol. IUPAC: N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-6-hydroxy-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide.
Chemical Property Profile of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-
Property Insights of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-
The XLogP value of -2.1 indicates that Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-. Following Lipinski's Rule of Five, Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- has 5 hydrogen bond donor(s) and 6 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-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-?
The CAS number of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- is 86970-98-1.
What is the molecular formula of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-?
The molecular formula of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- is C12H17N3O5.
What is the molecular weight of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-?
The molecular weight of Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- is 283.12 g/mol.
Where can I buy Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-?
You can request a quote for Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- 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-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(8a-(1,1-dihydroxyethyl)-1,4,4a,5,8,8a-hexahydro-6-hydroxy-4-oxo-2-quinazolinyl)-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.