异草定
TL;DR: 异草定 (CAS 314-42-1) is a chemical compound with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异草定
5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
Also Known As: ISOCIL, Hyvar, Isoprocil, Herbicide 82, Lorox
| Molecular Formula | C8H11BrN2O2 |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0004 |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 314-42-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1)C(C)C)Br |
| InChIKey | PSYBGEADHLUXCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异草定 (CAS 314-42-1), with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol. IUPAC: 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 异草定
Property Insights of 异草定
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异草定. With a topological polar surface area (TPSA) of 49.4 Ų, 异草定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异草定 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 异草定?
The CAS number of 异草定 is 314-42-1.
What is the molecular formula of 异草定?
The molecular formula of 异草定 is C8H11BrN2O2.
What is the molecular weight of 异草定?
The molecular weight of 异草定 is 246.00 g/mol.
Where can I buy 异草定?
You can request a quote for 异草定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异草定?
Yes, KEHONG BIO provides custom synthesis services for 异草定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.