1-Cyclohexylthymine
TL;DR: 1-Cyclohexylthymine (CAS 21031-74-3) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-5-methylpyrimidine-2,4-dione
Also Known As: 1-Cyclohexylthymine, THYMINE, 1-CYCLOHEXYL-, 1-cyclohexyl-5-methylpyrimidine-2,4-dione, 1-cyclohexyl-5-methylpyrimidine-2,4(1h,3h)-dione, 2,4(1H,3H)-Pyrimidinedione, 1-cyclohexyl-5-methyl-
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 21031-74-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CCCCC2 |
| InChIKey | KMKDOEBFMRRNPY-UHFFFAOYSA-N |
Product Overview
1-Cyclohexylthymine (CAS 21031-74-3), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: 1-cyclohexyl-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-Cyclohexylthymine
Property Insights of 1-Cyclohexylthymine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexylthymine. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Cyclohexylthymine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexylthymine 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 1-Cyclohexylthymine?
The CAS number of 1-Cyclohexylthymine is 21031-74-3.
What is the molecular formula of 1-Cyclohexylthymine?
The molecular formula of 1-Cyclohexylthymine is C11H16N2O2.
What is the molecular weight of 1-Cyclohexylthymine?
The molecular weight of 1-Cyclohexylthymine is 208.12 g/mol.
Where can I buy 1-Cyclohexylthymine?
You can request a quote for 1-Cyclohexylthymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexylthymine?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.