Acluracil
TL;DR: Acluracil (CAS 55191-62-3) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3,5-diethyl-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: Acluracil, Alcuracil, ACLU, 1-Allyl-3,5-diethyl-6-chlorouracil, 1-Allyl-3,5-diathyl-6-chloruracil
| Molecular Formula | C11H15ClN2O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0822 |
| Heavy Atoms | 16 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 55191-62-3 |
|---|---|
| SMILES | CCC1=C(N(C(=O)N(C1=O)CC)CC=C)Cl |
| InChIKey | GPSWWJCFLZMBGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acluracil (CAS 55191-62-3), with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol. IUPAC: 6-chloro-3,5-diethyl-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of Acluracil
Property Insights of Acluracil
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acluracil. With a topological polar surface area (TPSA) of 40.6 Ų, Acluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acluracil 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 Acluracil?
The CAS number of Acluracil is 55191-62-3.
What is the molecular formula of Acluracil?
The molecular formula of Acluracil is C11H15ClN2O2.
What is the molecular weight of Acluracil?
The molecular weight of Acluracil is 242.08 g/mol.
Where can I buy Acluracil?
You can request a quote for Acluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acluracil?
Yes, KEHONG BIO provides custom synthesis services for Acluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.