Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate (CAS 150537-08-9) 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.
ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
Also Known As: ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate, AB00081398-01, ethyl 4-chloro-2-(2-hydroxyphenyl)-5-pyrimidinecarboxylate, ethyl (2E)-6-chloro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidine-5-carboxylate, ethyl (2Z)-6-chloro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidine-5-carboxylate
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 150537-08-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1Cl)C2=CC=CC=C2O |
| InChIKey | GMUOXEQRMCUFFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate (CAS 150537-08-9), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate has 1 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 Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate is 150537-08-9.
What is the molecular formula of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate is C13H11ClN2O3.
What is the molecular weight of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate is 278.05 g/mol.
Where can I buy Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.