Thiouracil der.
TL;DR: Thiouracil der. (CAS 172255-97-9) is a chemical compound with molecular formula C16H18F2N2O2SSe and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-difluorophenyl)selanyl-1-(ethoxymethyl)-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Also Known As: Thiouracil der., 4(1H)-Pyrimidinone, 6-((3,5-difluorophenyl)seleno)-1-(ethoxymethyl)-2,3-dihydro-5-(1-methylethyl)-2-thioxo-, 1-(Ethoxymethyl)-5-(methylethyl)-6-((3,5-difluorophenyl)selenenyl)-2-thioxo-1,3-dihydropyrimidin-4-one, 6-(3,5-difluorophenyl)selanyl-1-(ethoxymethyl)-5-isopropyl-2-thioxo-pyrimidin-4-one, 1-(Ethoxymethyl)-5-(methylethyl)-6-[(3,5-difluorophenyl)selenenyl]-2-thioxo-1,3-dihydropyrimidin-4-one
| Molecular Formula | C16H18F2N2O2SSe |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 1.95649 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.02222 |
| Heavy Atoms | 24 |
| Complexity | 828.69666 |
Chemical Identifiers
| CAS Number | 172255-97-9 |
|---|---|
| SMILES | CCOCN1C(=C(C(=O)NC1=S)C(C)C)[Se]C2=CC(=CC(=C2)F)F |
Product Overview
Thiouracil der. (CAS 172255-97-9), with molecular formula C16H18F2N2O2SSe and molecular weight 420.02 g/mol. IUPAC: 6-(3,5-difluorophenyl)selanyl-1-(ethoxymethyl)-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of Thiouracil der.
Property Insights of Thiouracil der.
The XLogP value of 1.95649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiouracil der.. With a topological polar surface area (TPSA) of 47.02 Ų, Thiouracil der. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiouracil der. has 1 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 Thiouracil der.?
The CAS number of Thiouracil der. is 172255-97-9.
What is the molecular formula of Thiouracil der.?
The molecular formula of Thiouracil der. is C16H18F2N2O2SSe.
What is the molecular weight of Thiouracil der.?
The molecular weight of Thiouracil der. is 420.02 g/mol.
Where can I buy Thiouracil der.?
You can request a quote for Thiouracil der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiouracil der.?
Yes, KEHONG BIO provides custom synthesis services for Thiouracil der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.