BAS 01051842
TL;DR: BAS 01051842 (CAS 330675-01-9) is a chemical compound with molecular formula C16H17Cl3N2O4 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 01051842, BIM-0025924.P001, 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C16H17Cl3N2O4 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 3.6266 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0254 |
| Heavy Atoms | 25 |
| Complexity | 700.8654 |
Chemical Identifiers
| CAS Number | 330675-01-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(Cl)(Cl)Cl |
Product Overview
BAS 01051842 (CAS 330675-01-9), with molecular formula C16H17Cl3N2O4 and molecular weight 406.03 g/mol. IUPAC: 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 01051842
Property Insights of BAS 01051842
The XLogP value of 3.6266 indicates that BAS 01051842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01051842. Following Lipinski's Rule of Five, BAS 01051842 has 2 hydrogen bond donor(s) and 4 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 01051842?
The CAS number of BAS 01051842 is 330675-01-9.
What is the molecular formula of BAS 01051842?
The molecular formula of BAS 01051842 is C16H17Cl3N2O4.
What is the molecular weight of BAS 01051842?
The molecular weight of BAS 01051842 is 406.03 g/mol.
Where can I buy BAS 01051842?
You can request a quote for BAS 01051842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01051842?
Yes, KEHONG BIO provides custom synthesis services for BAS 01051842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.