Ro 40-4895
TL;DR: Ro 40-4895 (CAS 120890-05-3) is a chemical compound with molecular formula C16H14ClF3N2O4 and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-[3-(difluoromethyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-4-fluorobenzoate
Also Known As: Ro 40-4895, Ro-40-4895, Benzoic acid, 2-chloro-5-(3-(difluoromethyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)-4-fluoro-, 1-methylethyl ester, 1-Methylethyl 2-chloro-5-[3-(difluoromethyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-4-fluorobenzoate, 2-Chloro-5-[[3-(difluoromethyl)-1,2,3,6-tetrahydro-4-methyl-2,6-dioxopyrimidin]-1-yl]-4-fluorobenzoic acid isopropyl ester
| Molecular Formula | C16H14ClF3N2O4 |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.05942 |
| Heavy Atoms | 26 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 120890-05-3 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=O)N1C(F)F)C2=C(C=C(C(=C2)C(=O)OC(C)C)Cl)F |
| InChIKey | AXZSMISENXTDQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 40-4895 (CAS 120890-05-3), with molecular formula C16H14ClF3N2O4 and molecular weight 390.06 g/mol. IUPAC: propan-2-yl 2-chloro-5-[3-(difluoromethyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-4-fluorobenzoate.
Chemical Property Profile of Ro 40-4895
Property Insights of Ro 40-4895
The XLogP value of 3.7 indicates that Ro 40-4895 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 40-4895. Following Lipinski's Rule of Five, Ro 40-4895 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 Ro 40-4895?
The CAS number of Ro 40-4895 is 120890-05-3.
What is the molecular formula of Ro 40-4895?
The molecular formula of Ro 40-4895 is C16H14ClF3N2O4.
What is the molecular weight of Ro 40-4895?
The molecular weight of Ro 40-4895 is 390.06 g/mol.
Where can I buy Ro 40-4895?
You can request a quote for Ro 40-4895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 40-4895?
Yes, KEHONG BIO provides custom synthesis services for Ro 40-4895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.