1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil
TL;DR: 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil (CAS 138420-49-2) 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-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
Also Known As: 3,3-OHMe-cyclobutyl-U, 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil, 1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione, 1-[3,3-Bis(hydroxymethyl)cyclobutyl]uracil, 1-(3,3-bisbenzyloxymethylcyclobut-1-yl)-uracil
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 138420-49-2 |
|---|---|
| SMILES | C1C(CC1(CO)CO)N2C=CC(=O)NC2=O |
| InChIKey | AIRWAARKRQOYEY-UHFFFAOYSA-N |
Product Overview
1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil (CAS 138420-49-2), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: 1-[3,3-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil
Property Insights of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil
The XLogP value of -1.5 indicates that 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil. Following Lipinski's Rule of Five, 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil has 3 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 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil?
The CAS number of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil is 138420-49-2.
What is the molecular formula of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil?
The molecular formula of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil is C10H14N2O4.
What is the molecular weight of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil?
The molecular weight of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil is 226.10 g/mol.
Where can I buy 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil?
You can request a quote for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.