Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate
TL;DR: Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate (CAS 59221-06-6) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-4-oxo-3,4a,5,8-tetrahydroquinazoline-8a-carboxylate
Also Known As: methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate, methyl 2-acetamido-4-oxo-3,4a,5,8-tetrahydroquinazoline-8a-carboxylate, Methyl 2-acetamido-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3H)-carboxylate, 8a(1H)-Quinazolinecarboxylicacid, 2-(acetylamino)-4,4a,5,8-tetrahydro-4-oxo-, methyl ester, cis- (9CI)
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 59221-06-6 |
|---|---|
| SMILES | CC(=O)NC1=NC2(CC=CCC2C(=O)N1)C(=O)OC |
| InChIKey | QXNSYMSDXFVRAP-UHFFFAOYSA-N |
Product Overview
Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate (CAS 59221-06-6), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: methyl 2-acetamido-4-oxo-3,4a,5,8-tetrahydroquinazoline-8a-carboxylate.
Chemical Property Profile of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate
Property Insights of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate
The XLogP value of -0.3 indicates that Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate has 2 hydrogen bond donor(s) and 5 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 Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate?
The CAS number of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate is 59221-06-6.
What is the molecular formula of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate?
The molecular formula of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate is C12H15N3O4.
What is the molecular weight of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate?
The molecular weight of Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate is 265.11 g/mol.
Where can I buy Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate?
You can request a quote for Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.