J3.230.101K
TL;DR: J3.230.101K (CAS 14758-01-1) is a chemical compound with molecular formula C15H17BrN2O3 and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(bromomethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
Also Known As: J3.230.101K, ethyl 6-(bromomethyl)-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A2163/0090832, ethyl 4-(bromomethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate, ethyl 6-(bromomethyl)-2-hydroxy-1-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C15H17BrN2O3 |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 2.5948 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.04224 |
| Heavy Atoms | 21 |
| Complexity | 571.54126 |
Chemical Identifiers
| CAS Number | 14758-01-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CBr |
Product Overview
J3.230.101K (CAS 14758-01-1), with molecular formula C15H17BrN2O3 and molecular weight 352.04 g/mol. IUPAC: ethyl 4-(bromomethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of J3.230.101K
Property Insights of J3.230.101K
The XLogP value of 2.5948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.230.101K. With a topological polar surface area (TPSA) of 58.64 Ų, J3.230.101K exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.230.101K has 1 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 J3.230.101K?
The CAS number of J3.230.101K is 14758-01-1.
What is the molecular formula of J3.230.101K?
The molecular formula of J3.230.101K is C15H17BrN2O3.
What is the molecular weight of J3.230.101K?
The molecular weight of J3.230.101K is 352.04 g/mol.
Where can I buy J3.230.101K?
You can request a quote for J3.230.101K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.230.101K?
Yes, KEHONG BIO provides custom synthesis services for J3.230.101K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.