Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-
TL;DR: Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- (CAS 63990-68-1) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone
Also Known As: 4-24-00-00135 (Beilstein Handbook Reference), ACETOPHENONE, 4'-(1,4-DIHYDRO-2-MERCAPTO-4,4,6-TRIMETHYL)PYRIMIDINYL-, 4'-(1,4-Dihydro-2-mercapto-4,4,6-trimethyl-1-pyrimidinyl)acetophenone, 1-[4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone, ACETOPHENONE,4-(1,4-DIHYDRO-2-MERCAPTO-4,4,6-TRIMETHYL)PYRIMIDINYL-
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.2661 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 558.01324 |
Chemical Identifiers
| CAS Number | 63990-68-1 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=C(C=C2)C(=O)C)(C)C |
Product Overview
Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- (CAS 63990-68-1), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 1-[4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone.
Chemical Property Profile of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-
Property Insights of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-
The XLogP value of 3.2661 indicates that Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- has 1 hydrogen bond donor(s) and 2 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 Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-?
The CAS number of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- is 63990-68-1.
What is the molecular formula of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-?
The molecular formula of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- is C15H18N2OS.
What is the molecular weight of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-?
The molecular weight of Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- is 274.11 g/mol.
Where can I buy Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-?
You can request a quote for Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 4'-(1,4-dihydro-2-mercapto-4,4,6-trimethyl)pyrimidinyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.