Ro 40-2687
TL;DR: Ro 40-2687 (CAS 114169-03-8) is a chemical compound with molecular formula C15H16ClFN2O3 and molecular weight 326.08334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-1,6-dimethylpyrimidine-2,4-dione
Also Known As: Ro 40-2687, Ro-40-2687, 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluoro-5-(1-methylethoxy)phenyl)-1,6-dimethyl-, 3-(4-Chloro-2-fluoro-5-(1-methylethoxy)phenyl)-1,6-dimethyl-2,4(1H,3H)-pyrimidinedione, 3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,6 -dimethyl-2,4(1H,3H)-pyrimidinedione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H16ClFN2O3 |
| Molecular Weight | 326.08334 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.08334 Da |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
| SMILES | CC1=CC(=O)N(C(=O)N1C)C2=CC(=C(C=C2F)Cl)OC(C)C |
| InChIKey | KKTDWFNQZPNWQX-UHFFFAOYSA-N |
Chemical Property Profile of Ro 40-2687
Property Insights of Ro 40-2687
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 40-2687. With a topological polar surface area (TPSA) of 49.9 Ų, Ro 40-2687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 40-2687 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ro 40-2687?
The CAS number of Ro 40-2687 is 114169-03-8.
What is the molecular formula of Ro 40-2687?
The molecular formula of Ro 40-2687 is C15H16ClFN2O3.
What is the molecular weight of Ro 40-2687?
The molecular weight of Ro 40-2687 is 326.08334 g/mol.
Where can I buy Ro 40-2687?
You can request a quote for Ro 40-2687 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 40-2687?
Yes, CoreyChem provides custom synthesis services for Ro 40-2687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.