BAS 00279358
TL;DR: BAS 00279358 (CAS 111535-67-2) is a chemical compound with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00279358, ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BIM-0025170.P001, Ethyl 1-acetyl-1,2,3,6-tetrahydro-4-methyl-6-(3-nitrophenyl)-2-oxo-5-pyrimidinecarboxylate, ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H17N3O6 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 2.0447 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11172 |
| Heavy Atoms | 25 |
| Complexity | 785.82965 |
Chemical Identifiers
| CAS Number | 111535-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C |
Product Overview
BAS 00279358 (CAS 111535-67-2), with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol. IUPAC: ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00279358
Property Insights of BAS 00279358
The XLogP value of 2.0447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00279358. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00279358. Following Lipinski's Rule of Five, BAS 00279358 has 1 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 BAS 00279358?
The CAS number of BAS 00279358 is 111535-67-2.
What is the molecular formula of BAS 00279358?
The molecular formula of BAS 00279358 is C16H17N3O6.
What is the molecular weight of BAS 00279358?
The molecular weight of BAS 00279358 is 347.11 g/mol.
Where can I buy BAS 00279358?
You can request a quote for BAS 00279358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00279358?
Yes, KEHONG BIO provides custom synthesis services for BAS 00279358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.