Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate
TL;DR: Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate (CAS 370847-59-9) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chloro-6-methylpyrimidin-4-yl)oxybenzoate
Also Known As: BAS 02561588, methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate, methyl 4-(2-chloro-6-methylpyrimidin-4-yl)oxybenzoate, methyl 4-((2-chloro-6-methylpyrimidin-4-yl)oxy)benzoate, methyl 4-[(2-chloro-6-methylpyrimidin-4-yl)oxy]benzoate
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.01732 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 579.08734 |
Chemical Identifiers
| CAS Number | 370847-59-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)Cl)OC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate (CAS 370847-59-9), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: methyl 4-(2-chloro-6-methylpyrimidin-4-yl)oxybenzoate.
Chemical Property Profile of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate
Property Insights of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate
The XLogP value of 3.01732 indicates that Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate?
The CAS number of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate is 370847-59-9.
What is the molecular formula of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate?
The molecular formula of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate is C13H11ClN2O3.
What is the molecular weight of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate?
The molecular weight of Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate is 278.05 g/mol.
Where can I buy Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate?
You can request a quote for Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.