Ethyl 2,4-dichloropyrimidine-5-carboxylate
TL;DR: Ethyl 2,4-dichloropyrimidine-5-carboxylate (CAS 51940-64-8) is a chemical compound with molecular formula C7H6Cl2N2O2 and molecular weight 219.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dichloropyrimidine-5-carboxylate
Also Known As: Ethyl 2,4-dichloropyrimidine-5-carboxylate, ethyl 2,4-dichloro-5-pyrimidinecarboxylate, null, Avanafil Impurity 89, Ethyl 2,4-Dichloro-pyrimidine-5-carboxylate
| Molecular Formula | C7H6Cl2N2O2 |
|---|---|
| Molecular Weight | 219.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.98064 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 51940-64-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1Cl)Cl |
| InChIKey | SRJBDGLSCPDXBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dichloropyrimidine-5-carboxylate (CAS 51940-64-8), with molecular formula C7H6Cl2N2O2 and molecular weight 219.98 g/mol. IUPAC: ethyl 2,4-dichloropyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2,4-dichloropyrimidine-5-carboxylate
Property Insights of Ethyl 2,4-dichloropyrimidine-5-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dichloropyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Ethyl 2,4-dichloropyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,4-dichloropyrimidine-5-carboxylate 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 Ethyl 2,4-dichloropyrimidine-5-carboxylate?
The CAS number of Ethyl 2,4-dichloropyrimidine-5-carboxylate is 51940-64-8.
What is the molecular formula of Ethyl 2,4-dichloropyrimidine-5-carboxylate?
The molecular formula of Ethyl 2,4-dichloropyrimidine-5-carboxylate is C7H6Cl2N2O2.
What is the molecular weight of Ethyl 2,4-dichloropyrimidine-5-carboxylate?
The molecular weight of Ethyl 2,4-dichloropyrimidine-5-carboxylate is 219.98 g/mol.
Where can I buy Ethyl 2,4-dichloropyrimidine-5-carboxylate?
You can request a quote for Ethyl 2,4-dichloropyrimidine-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 2,4-dichloropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dichloropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.