BAS 00633846
TL;DR: BAS 00633846 (CAS 314052-27-2) 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.
propyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00633846, propyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, propyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate, PROPYL 1,6-DIMETHYL-4-(4-NITROPHENYL)-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE, propyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidine-5-carboxy late
| Molecular Formula | C16H19N3O5 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 2.5181 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.13248 |
| Heavy Atoms | 24 |
| Complexity | 696.1694 |
Chemical Identifiers
| CAS Number | 314052-27-2 |
|---|---|
| SMILES | CCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C)C |
Product Overview
BAS 00633846 (CAS 314052-27-2), with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol. IUPAC: propyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00633846
Property Insights of BAS 00633846
The XLogP value of 2.5181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00633846. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00633846. Following Lipinski's Rule of Five, BAS 00633846 has 1 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 00633846?
The CAS number of BAS 00633846 is 314052-27-2.
What is the molecular formula of BAS 00633846?
The molecular formula of BAS 00633846 is C16H19N3O5.
What is the molecular weight of BAS 00633846?
The molecular weight of BAS 00633846 is 333.13 g/mol.
Where can I buy BAS 00633846?
You can request a quote for BAS 00633846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00633846?
Yes, KEHONG BIO provides custom synthesis services for BAS 00633846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.