U9UPX2PT9C
TL;DR: U9UPX2PT9C (CAS 114168-56-8) is a chemical compound with molecular formula C14H11ClF4N2O3 and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Also Known As: Ro 40-4164, Ro-40-4164, 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-, 3-(4-Chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
| Molecular Formula | C14H11ClF4N2O3 |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.03943 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 114168-56-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)F)Cl |
| InChIKey | XEVJTAVFBGLFIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
U9UPX2PT9C (CAS 114168-56-8), with molecular formula C14H11ClF4N2O3 and molecular weight 366.04 g/mol. IUPAC: 3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
Chemical Property Profile of U9UPX2PT9C
Property Insights of U9UPX2PT9C
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for U9UPX2PT9C. With a topological polar surface area (TPSA) of 49.9 Ų, U9UPX2PT9C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, U9UPX2PT9C has 0 hydrogen bond donor(s) and 7 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 U9UPX2PT9C?
The CAS number of U9UPX2PT9C is 114168-56-8.
What is the molecular formula of U9UPX2PT9C?
The molecular formula of U9UPX2PT9C is C14H11ClF4N2O3.
What is the molecular weight of U9UPX2PT9C?
The molecular weight of U9UPX2PT9C is 366.04 g/mol.
Where can I buy U9UPX2PT9C?
You can request a quote for U9UPX2PT9C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U9UPX2PT9C?
Yes, KEHONG BIO provides custom synthesis services for U9UPX2PT9C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.