NCIOpen2_001491
TL;DR: NCIOpen2_001491 (CAS 62554-34-1) is a chemical compound with molecular formula C8H10N2OS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1-prop-2-enylpyrimidin-4-one
Also Known As: NCIOpen2_001491, 2-methylsulfanyl-1-prop-2-enylpyrimidin-4-one, 1-Allyl-2-(methylthio)pyrimidin-4(1H)-one, 2-(methylsulfanyl)-1-(prop-2-en-1-yl)pyrimidin-4(1h)-one, 4(1H)-Pyrimidinone, 2-(methylthio)-1-(2-propen-1-yl)-
| Molecular Formula | C8H10N2OS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.05139 |
| Heavy Atoms | 12 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 62554-34-1 |
|---|---|
| SMILES | CSC1=NC(=O)C=CN1CC=C |
| InChIKey | XOGXTDSAGARRIS-UHFFFAOYSA-N |
Product Overview
NCIOpen2_001491 (CAS 62554-34-1), with molecular formula C8H10N2OS and molecular weight 182.05 g/mol. IUPAC: 2-methylsulfanyl-1-prop-2-enylpyrimidin-4-one.
Chemical Property Profile of NCIOpen2_001491
Property Insights of NCIOpen2_001491
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_001491. With a topological polar surface area (TPSA) of 58.0 Ų, NCIOpen2_001491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_001491 has 0 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 NCIOpen2_001491?
The CAS number of NCIOpen2_001491 is 62554-34-1.
What is the molecular formula of NCIOpen2_001491?
The molecular formula of NCIOpen2_001491 is C8H10N2OS.
What is the molecular weight of NCIOpen2_001491?
The molecular weight of NCIOpen2_001491 is 182.05 g/mol.
Where can I buy NCIOpen2_001491?
You can request a quote for NCIOpen2_001491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_001491?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_001491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.