Terbacil
TL;DR: Terbacil (CAS 5902-51-2) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: TERBACIL, Turbacil, Sinbar, Geonter, Compound 732
| Molecular Formula | C9H13ClN2O2 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.06656 |
| Heavy Atoms | 14 |
| Complexity | 328.0 |
| Melting Point | 175-177 °C |
| Boiling Point | Sublimation begins below the melting point |
| Density | 1.34 g/cu cm at 25 °C |
| Solubility | Solubilities (g/kg, 25 °C): dimethylformamide 337 g/kg; cyclohexanone 220; methyl isobutyl ketone 121; butyl acetate 88 g/kg; xylene 65 |
| Vapor Pressure | 0.00000047 [mmHg] |
Chemical Identifiers
| CAS Number | 5902-51-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl |
| InChIKey | NBQCNZYJJMBDKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Terbacil (CAS 5902-51-2), with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol. IUPAC: 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of Terbacil
Property Insights of Terbacil
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terbacil. With a topological polar surface area (TPSA) of 49.4 Ų, Terbacil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terbacil 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 Terbacil?
The CAS number of Terbacil is 5902-51-2.
What is the molecular formula of Terbacil?
The molecular formula of Terbacil is C9H13ClN2O2.
What is the molecular weight of Terbacil?
The molecular weight of Terbacil is 216.07 g/mol.
Where can I buy Terbacil?
You can request a quote for Terbacil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terbacil?
Yes, KEHONG BIO provides custom synthesis services for Terbacil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.