Methyl 2,5,6-trichloropyrimidine-4-carboxylate
TL;DR: Methyl 2,5,6-trichloropyrimidine-4-carboxylate (CAS 89284-85-5) is a chemical compound with molecular formula C6H3Cl3N2O2 and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5,6-trichloropyrimidine-4-carboxylate
Also Known As: methyl 2,5,6-trichloropyrimidine-4-carboxylate, d(+)-lactide, methyl 2,5,6-trichloro-4-pyrimidinecarboxylate, NCIOpen2_002887, methyltrichloropyrimidinecarboxylate
| Molecular Formula | C6H3Cl3N2O2 |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.92601 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 89284-85-5 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl |
| InChIKey | TVFOOGACHSHHSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,5,6-trichloropyrimidine-4-carboxylate (CAS 89284-85-5), with molecular formula C6H3Cl3N2O2 and molecular weight 239.93 g/mol. IUPAC: methyl 2,5,6-trichloropyrimidine-4-carboxylate.
Chemical Property Profile of Methyl 2,5,6-trichloropyrimidine-4-carboxylate
Property Insights of Methyl 2,5,6-trichloropyrimidine-4-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,5,6-trichloropyrimidine-4-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Methyl 2,5,6-trichloropyrimidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,5,6-trichloropyrimidine-4-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 Methyl 2,5,6-trichloropyrimidine-4-carboxylate?
The CAS number of Methyl 2,5,6-trichloropyrimidine-4-carboxylate is 89284-85-5.
What is the molecular formula of Methyl 2,5,6-trichloropyrimidine-4-carboxylate?
The molecular formula of Methyl 2,5,6-trichloropyrimidine-4-carboxylate is C6H3Cl3N2O2.
What is the molecular weight of Methyl 2,5,6-trichloropyrimidine-4-carboxylate?
The molecular weight of Methyl 2,5,6-trichloropyrimidine-4-carboxylate is 239.93 g/mol.
Where can I buy Methyl 2,5,6-trichloropyrimidine-4-carboxylate?
You can request a quote for Methyl 2,5,6-trichloropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,5,6-trichloropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5,6-trichloropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.