Uracil, 3-(2-mercaptoethyl)-6-phenyl-
TL;DR: Uracil, 3-(2-mercaptoethyl)-6-phenyl- (CAS 29558-49-4) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione
Also Known As: 3- -6-phenyluracil, Uracil, 3-(2-mercaptoethyl)-6-phenyl-, 3-(2-Mercaptoethyl)-6-phenyluracil, 6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione, 3-(2-mercaptoethyl)-6-phenylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 29558-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2)CCS |
| InChIKey | CZMXKJINTZUCAJ-UHFFFAOYSA-N |
Product Overview
Uracil, 3-(2-mercaptoethyl)-6-phenyl- (CAS 29558-49-4), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of Uracil, 3-(2-mercaptoethyl)-6-phenyl-
Property Insights of Uracil, 3-(2-mercaptoethyl)-6-phenyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uracil, 3-(2-mercaptoethyl)-6-phenyl-. With a topological polar surface area (TPSA) of 50.4 Ų, Uracil, 3-(2-mercaptoethyl)-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Uracil, 3-(2-mercaptoethyl)-6-phenyl- has 2 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 Uracil, 3-(2-mercaptoethyl)-6-phenyl-?
The CAS number of Uracil, 3-(2-mercaptoethyl)-6-phenyl- is 29558-49-4.
What is the molecular formula of Uracil, 3-(2-mercaptoethyl)-6-phenyl-?
The molecular formula of Uracil, 3-(2-mercaptoethyl)-6-phenyl- is C12H12N2O2S.
What is the molecular weight of Uracil, 3-(2-mercaptoethyl)-6-phenyl-?
The molecular weight of Uracil, 3-(2-mercaptoethyl)-6-phenyl- is 248.06 g/mol.
Where can I buy Uracil, 3-(2-mercaptoethyl)-6-phenyl-?
You can request a quote for Uracil, 3-(2-mercaptoethyl)-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uracil, 3-(2-mercaptoethyl)-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Uracil, 3-(2-mercaptoethyl)-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.