Ro 40-4879
TL;DR: Ro 40-4879 (CAS 115784-92-4) is a chemical compound with molecular formula C17H13ClF6N2O4 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-1-yl]benzoate
Also Known As: Ro 40-4879, Ro-40-4879, Benzoic acid, 2-chloro-4-fluoro-5-(2-methoxy-6-oxo-4-(pentafluoroethyl)-1(6H)-pyrimidinyl)-, 1-methyl ethyl ester, 1-Methylethyl 2-chloro-4-fluoro-5-(2-methoxy-6-oxo-4-(pentafluoroethyl)-1(6H)-pyrimidinyl)benzoate, 2-Chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(pentafluoroethyl)pyrimidin-1(6H)-yl]benzoic acid isopropyl ester
| Molecular Formula | C17H13ClF6N2O4 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.0468 |
| Heavy Atoms | 30 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 115784-92-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)C=C(N=C2OC)C(C(F)(F)F)(F)F |
| InChIKey | REUNWMORPHAOQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 40-4879 (CAS 115784-92-4), with molecular formula C17H13ClF6N2O4 and molecular weight 458.05 g/mol. IUPAC: propan-2-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-1-yl]benzoate.
Chemical Property Profile of Ro 40-4879
Property Insights of Ro 40-4879
The XLogP value of 4.4 indicates that Ro 40-4879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 40-4879. Following Lipinski's Rule of Five, Ro 40-4879 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 40-4879?
The CAS number of Ro 40-4879 is 115784-92-4.
What is the molecular formula of Ro 40-4879?
The molecular formula of Ro 40-4879 is C17H13ClF6N2O4.
What is the molecular weight of Ro 40-4879?
The molecular weight of Ro 40-4879 is 458.05 g/mol.
Where can I buy Ro 40-4879?
You can request a quote for Ro 40-4879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 40-4879?
Yes, KEHONG BIO provides custom synthesis services for Ro 40-4879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.