O-4-Propylthymine
TL;DR: O-4-Propylthymine (CAS 124830-87-1) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-propoxy-1H-pyrimidin-2-one
Also Known As: O-4-Propylthymine, O(4)-n-Propylthymine, O(4)-Nprt, 5-methyl-6-propoxy-1H-pyrimidin-2-one, 5-Methyl-4-propoxy-2(1H)-pyrimidinone
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 124830-87-1 |
|---|---|
| SMILES | CCCOC1=C(C=NC(=O)N1)C |
| InChIKey | RSZVKJNDOJCFTA-UHFFFAOYSA-N |
Product Overview
O-4-Propylthymine (CAS 124830-87-1), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 5-methyl-6-propoxy-1H-pyrimidin-2-one.
Chemical Property Profile of O-4-Propylthymine
Property Insights of O-4-Propylthymine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-4-Propylthymine. With a topological polar surface area (TPSA) of 50.7 Ų, O-4-Propylthymine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-4-Propylthymine 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 O-4-Propylthymine?
The CAS number of O-4-Propylthymine is 124830-87-1.
What is the molecular formula of O-4-Propylthymine?
The molecular formula of O-4-Propylthymine is C8H12N2O2.
What is the molecular weight of O-4-Propylthymine?
The molecular weight of O-4-Propylthymine is 168.09 g/mol.
Where can I buy O-4-Propylthymine?
You can request a quote for O-4-Propylthymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-4-Propylthymine?
Yes, KEHONG BIO provides custom synthesis services for O-4-Propylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.