Acyclic Th analog
TL;DR: Acyclic Th analog (CAS 136083-22-2) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-hydroxybut-3-en-2-yloxymethyl)-5-methylpyrimidine-2,4-dione
Also Known As: Acyclic Th analog, 1-(Methoxy-(4-hydroxybuten-3-yl)-thymine, 1-(1-hydroxybut-3-en-2-yloxymethyl)-5-methylpyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 1-(((1-(hydroxymethyl)-2-propenyl)oxy)methyl)-5-methyl-, 1-[1-(hydroxymethyl)allyloxymethyl]-5-methyl-pyrimidine-2,4-dione
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 136083-22-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)COC(CO)C=C |
| InChIKey | NDNYWNVDBZCJOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acyclic Th analog (CAS 136083-22-2), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: 1-(1-hydroxybut-3-en-2-yloxymethyl)-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Acyclic Th analog
Property Insights of Acyclic Th analog
The XLogP value of -0.6 indicates that Acyclic Th analog is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acyclic Th analog. Following Lipinski's Rule of Five, Acyclic Th analog has 2 hydrogen bond donor(s) and 4 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 Acyclic Th analog?
The CAS number of Acyclic Th analog is 136083-22-2.
What is the molecular formula of Acyclic Th analog?
The molecular formula of Acyclic Th analog is C10H14N2O4.
What is the molecular weight of Acyclic Th analog?
The molecular weight of Acyclic Th analog is 226.10 g/mol.
Where can I buy Acyclic Th analog?
You can request a quote for Acyclic Th analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acyclic Th analog?
Yes, KEHONG BIO provides custom synthesis services for Acyclic Th analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.