ChemDiv1_000750
TL;DR: ChemDiv1_000750 (CAS 313233-57-7) is a chemical compound with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000750, BAS 00326585, BIM-0021220.P001, 2-phenylethyl 4-(4-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-PHENYLETHYL 4-(4-BROMOPHENYL)-6-METHYL-2-OXO-3,4-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C20H19BrN2O3 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 3.8629 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.05792 |
| Heavy Atoms | 26 |
| Complexity | 831.8946 |
Chemical Identifiers
| CAS Number | 313233-57-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OCCC3=CC=CC=C3 |
Product Overview
ChemDiv1_000750 (CAS 313233-57-7), with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol. IUPAC: 2-phenylethyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000750
Property Insights of ChemDiv1_000750
The XLogP value of 3.8629 indicates that ChemDiv1_000750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000750. Following Lipinski's Rule of Five, ChemDiv1_000750 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 ChemDiv1_000750?
The CAS number of ChemDiv1_000750 is 313233-57-7.
What is the molecular formula of ChemDiv1_000750?
The molecular formula of ChemDiv1_000750 is C20H19BrN2O3.
What is the molecular weight of ChemDiv1_000750?
The molecular weight of ChemDiv1_000750 is 414.06 g/mol.
Where can I buy ChemDiv1_000750?
You can request a quote for ChemDiv1_000750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000750?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.