![2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate structure](/static/products/1062/106271-61-8.webp)
2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate
TL;DR: 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate (CAS 106271-61-8) is a chemical compound with molecular formula C14H13N3O5S and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate, 2F-914, 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethyl 4-methylbenzene-1-sulfonate, 2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl 4-methylbenzenesulfonate, 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)ethyl 4-methylbenzenesulfonate
| Molecular Formula | C14H13N3O5S |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 0.1222 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0576 |
| Heavy Atoms | 23 |
| Complexity | 965.19794 |
Chemical Identifiers
| CAS Number | 106271-61-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C(=O)NC2=O)C#N |
Product Overview
2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate (CAS 106271-61-8), with molecular formula C14H13N3O5S and molecular weight 335.06 g/mol. IUPAC: 2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate
Property Insights of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate
The XLogP value of 0.1222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate has 1 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 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate?
The CAS number of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate is 106271-61-8.
What is the molecular formula of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate is C14H13N3O5S.
What is the molecular weight of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate is 335.06 g/mol.
Where can I buy 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.