2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate
TL;DR: 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate (CAS 400083-83-2) is a chemical compound with molecular formula C13H10ClFN2O2 and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylpyrimidin-4-yl) 2-chloro-6-fluorobenzoate
Also Known As: 5H-310S, (2,6-dimethylpyrimidin-4-yl) 2-chloro-6-fluorobenzoate, 2,6-dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate, 2,6-dimethylpyrimidin-4-yl 2-chloro-6-fluorobenzoate, 2,6-dimethylpyrimidin-4-yl2-chloro-6-fluorobenzoate
| Molecular Formula | C13H10ClFN2O2 |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 3.10514 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.04147 |
| Heavy Atoms | 19 |
| Complexity | 606.0355 |
Chemical Identifiers
| CAS Number | 400083-83-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)OC(=O)C2=C(C=CC=C2Cl)F |
Product Overview
2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate (CAS 400083-83-2), with molecular formula C13H10ClFN2O2 and molecular weight 280.04 g/mol. IUPAC: (2,6-dimethylpyrimidin-4-yl) 2-chloro-6-fluorobenzoate.
Chemical Property Profile of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate
Property Insights of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate
The XLogP value of 3.10514 indicates that 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate 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
Frequently Asked Questions
What is the CAS number of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate?
The CAS number of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate is 400083-83-2.
What is the molecular formula of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate?
The molecular formula of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate is C13H10ClFN2O2.
What is the molecular weight of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate?
The molecular weight of 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate is 280.04 g/mol.
Where can I buy 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate?
You can request a quote for 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-pyrimidinyl 2-chloro-6-fluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.