ChemDiv1_000374
TL;DR: ChemDiv1_000374 (CAS 295344-45-5) is a chemical compound with molecular formula C17H19BrN2O5S and molecular weight 442.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000374, BAS 00380971, 2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(ETHYLSULFANYL)ETHYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C17H19BrN2O5S |
|---|---|
| Molecular Weight | 442.02 g/mol |
| LogP | 3.102 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0198 |
| Heavy Atoms | 26 |
| Complexity | 767.76526 |
Chemical Identifiers
| CAS Number | 295344-45-5 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C |
Product Overview
ChemDiv1_000374 (CAS 295344-45-5), with molecular formula C17H19BrN2O5S and molecular weight 442.02 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000374
Property Insights of ChemDiv1_000374
The XLogP value of 3.102 indicates that ChemDiv1_000374 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000374. Following Lipinski's Rule of Five, ChemDiv1_000374 has 2 hydrogen bond donor(s) and 6 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_000374?
The CAS number of ChemDiv1_000374 is 295344-45-5.
What is the molecular formula of ChemDiv1_000374?
The molecular formula of ChemDiv1_000374 is C17H19BrN2O5S.
What is the molecular weight of ChemDiv1_000374?
The molecular weight of ChemDiv1_000374 is 442.02 g/mol.
Where can I buy ChemDiv1_000374?
You can request a quote for ChemDiv1_000374 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000374?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.