BAS 00111566
TL;DR: BAS 00111566 (CAS 300360-07-0) is a chemical compound with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00111566, Butyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, butyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 6-Methyl-4-(3-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester, Butyl6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H19N3O5 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 2.566 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.13248 |
| Heavy Atoms | 24 |
| Complexity | 698.70825 |
Chemical Identifiers
| CAS Number | 300360-07-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
BAS 00111566 (CAS 300360-07-0), with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol. IUPAC: butyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00111566
Property Insights of BAS 00111566
The XLogP value of 2.566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00111566. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00111566. Following Lipinski's Rule of Five, BAS 00111566 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 BAS 00111566?
The CAS number of BAS 00111566 is 300360-07-0.
What is the molecular formula of BAS 00111566?
The molecular formula of BAS 00111566 is C16H19N3O5.
What is the molecular weight of BAS 00111566?
The molecular weight of BAS 00111566 is 333.13 g/mol.
Where can I buy BAS 00111566?
You can request a quote for BAS 00111566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00111566?
Yes, KEHONG BIO provides custom synthesis services for BAS 00111566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.