ChemDiv1_000506
TL;DR: ChemDiv1_000506 (CAS 297743-86-3) is a chemical compound with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000506, BAS 00338766, 2-phenylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-phenylethyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C21H21BrN2O5 |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 3.5771 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0634 |
| Heavy Atoms | 29 |
| Complexity | 959.0439 |
Chemical Identifiers
| CAS Number | 297743-86-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCCC3=CC=CC=C3 |
Product Overview
ChemDiv1_000506 (CAS 297743-86-3), with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol. IUPAC: 2-phenylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000506
Property Insights of ChemDiv1_000506
The XLogP value of 3.5771 indicates that ChemDiv1_000506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000506. Following Lipinski's Rule of Five, ChemDiv1_000506 has 3 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 ChemDiv1_000506?
The CAS number of ChemDiv1_000506 is 297743-86-3.
What is the molecular formula of ChemDiv1_000506?
The molecular formula of ChemDiv1_000506 is C21H21BrN2O5.
What is the molecular weight of ChemDiv1_000506?
The molecular weight of ChemDiv1_000506 is 460.06 g/mol.
Where can I buy ChemDiv1_000506?
You can request a quote for ChemDiv1_000506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000506?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.