ChemDiv1_007171
TL;DR: ChemDiv1_007171 (CAS 346716-52-7) is a chemical compound with molecular formula C17H21BrN2O4S and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_007171, 2-(ethylsulfanyl)ethyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(ETHYLSULFANYL)ETHYL 4-(5-BROMO-2-METHOXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, 2-(ethylthio)ethyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylsulfanylethyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H21BrN2O4S |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 3.3819 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.04053 |
| Heavy Atoms | 25 |
| Complexity | 693.22546 |
Chemical Identifiers
| CAS Number | 346716-52-7 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)Br)OC)C |
Product Overview
ChemDiv1_007171 (CAS 346716-52-7), with molecular formula C17H21BrN2O4S and molecular weight 428.04 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_007171
Property Insights of ChemDiv1_007171
The XLogP value of 3.3819 indicates that ChemDiv1_007171 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 ChemDiv1_007171. Following Lipinski's Rule of Five, ChemDiv1_007171 has 2 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_007171?
The CAS number of ChemDiv1_007171 is 346716-52-7.
What is the molecular formula of ChemDiv1_007171?
The molecular formula of ChemDiv1_007171 is C17H21BrN2O4S.
What is the molecular weight of ChemDiv1_007171?
The molecular weight of ChemDiv1_007171 is 428.04 g/mol.
Where can I buy ChemDiv1_007171?
You can request a quote for ChemDiv1_007171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007171?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.