BAS 00127123
TL;DR: BAS 00127123 (CAS 301655-99-2) is a chemical compound with molecular formula C16H19FN2O3 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00127123, 2-methylpropyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A1044/0048931, 2-methylpropyl 4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-methylpropyl 6-(3-fluorophenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H19FN2O3 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 2.6528 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.13797 |
| Heavy Atoms | 22 |
| Complexity | 625.57184 |
Chemical Identifiers
| CAS Number | 301655-99-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)F)C(=O)OCC(C)C |
Product Overview
BAS 00127123 (CAS 301655-99-2), with molecular formula C16H19FN2O3 and molecular weight 306.14 g/mol. IUPAC: 2-methylpropyl 4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00127123
Property Insights of BAS 00127123
The XLogP value of 2.6528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00127123. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00127123. Following Lipinski's Rule of Five, BAS 00127123 has 2 hydrogen bond donor(s) and 3 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 00127123?
The CAS number of BAS 00127123 is 301655-99-2.
What is the molecular formula of BAS 00127123?
The molecular formula of BAS 00127123 is C16H19FN2O3.
What is the molecular weight of BAS 00127123?
The molecular weight of BAS 00127123 is 306.14 g/mol.
Where can I buy BAS 00127123?
You can request a quote for BAS 00127123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00127123?
Yes, KEHONG BIO provides custom synthesis services for BAS 00127123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.