2-bromo-3-ethoxy-3-oxopropanal
TL;DR: 2-bromo-3-ethoxy-3-oxopropanal (CAS 331422-74-3) is a chemical compound with molecular formula C20H19N5O5S2 and molecular weight 473.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
Also Known As: 2-bromo-3-ethoxy-3-oxopropanal, BAS 00393376, 4-{[(benzoylamino)carbothioyl]amino}-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide, AN-329/40187389, 1-BENZOYL-3-{4-[(2,6-DIMETHOXYPYRIMIDIN-4-YL)SULFAMOYL]PHENYL}THIOUREA
| Molecular Formula | C20H19N5O5S2 |
|---|---|
| Molecular Weight | 473.08 g/mol |
| LogP | 2.4214 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.08276 |
| Heavy Atoms | 32 |
| Complexity | 1196.6377 |
Chemical Identifiers
| CAS Number | 331422-74-3 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)OC |
Product Overview
2-bromo-3-ethoxy-3-oxopropanal (CAS 331422-74-3), with molecular formula C20H19N5O5S2 and molecular weight 473.08 g/mol. IUPAC: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-3-ethoxy-3-oxopropanal
Property Insights of 2-bromo-3-ethoxy-3-oxopropanal
The XLogP value of 2.4214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-3-ethoxy-3-oxopropanal. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-3-ethoxy-3-oxopropanal. Following Lipinski's Rule of Five, 2-bromo-3-ethoxy-3-oxopropanal has 3 hydrogen bond donor(s) and 8 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 2-bromo-3-ethoxy-3-oxopropanal?
The CAS number of 2-bromo-3-ethoxy-3-oxopropanal is 331422-74-3.
What is the molecular formula of 2-bromo-3-ethoxy-3-oxopropanal?
The molecular formula of 2-bromo-3-ethoxy-3-oxopropanal is C20H19N5O5S2.
What is the molecular weight of 2-bromo-3-ethoxy-3-oxopropanal?
The molecular weight of 2-bromo-3-ethoxy-3-oxopropanal is 473.08 g/mol.
Where can I buy 2-bromo-3-ethoxy-3-oxopropanal?
You can request a quote for 2-bromo-3-ethoxy-3-oxopropanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-3-ethoxy-3-oxopropanal?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-3-ethoxy-3-oxopropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.