1-((2-Hydroxyethoxy)methyl)-5-iodouracil
TL;DR: 1-((2-Hydroxyethoxy)methyl)-5-iodouracil (CAS 78691-31-3) is a chemical compound with molecular formula C31H30Cl5N2O6PS and molecular weight 764.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate;diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
Also Known As: 1-((2-Hydroxyethoxy)methyl)-5-iodouracil, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,cyano(3-phenoxyphenyl)methyl ester, mixt. with O,O-diethylO-(3,5,6-trichloro-2-pyridinyl) phosphorothioate, [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate; diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-phosphorane, [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate,diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-, E5-phosphane
| Molecular Formula | C31H30Cl5N2O6PS |
|---|---|
| Molecular Weight | 764.00 g/mol |
| LogP | 10.89608 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 764.0005 |
| Heavy Atoms | 46 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 78691-31-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl.CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
| InChIKey | TUHKLOPKUSJKSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-Hydroxyethoxy)methyl)-5-iodouracil (CAS 78691-31-3), with molecular formula C31H30Cl5N2O6PS and molecular weight 764.00 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate;diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane.
Chemical Property Profile of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil
Property Insights of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil
The XLogP value of 10.89608 indicates that 1-((2-Hydroxyethoxy)methyl)-5-iodouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Hydroxyethoxy)methyl)-5-iodouracil. Following Lipinski's Rule of Five, 1-((2-Hydroxyethoxy)methyl)-5-iodouracil has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil?
The CAS number of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil is 78691-31-3.
What is the molecular formula of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil?
The molecular formula of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil is C31H30Cl5N2O6PS.
What is the molecular weight of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil?
The molecular weight of 1-((2-Hydroxyethoxy)methyl)-5-iodouracil is 764.00 g/mol.
Where can I buy 1-((2-Hydroxyethoxy)methyl)-5-iodouracil?
You can request a quote for 1-((2-Hydroxyethoxy)methyl)-5-iodouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Hydroxyethoxy)methyl)-5-iodouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Hydroxyethoxy)methyl)-5-iodouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.