Methyl 3,4,5-trichloropyridine-2-carboxylate
TL;DR: Methyl 3,4,5-trichloropyridine-2-carboxylate (CAS 200711-45-1) is a chemical compound with molecular formula C7H4Cl3NO2 and molecular weight 238.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-trichloropyridine-2-carboxylate
Also Known As: Regorafenib Impurity 31, methyl 3,4,5-trichloropicolinate, methyl 3,4,5-trichloropyridine-2-carboxylate, methyl 3,4,5-trichloro-2-pyridinecarboxylate, F3097-0575
| Molecular Formula | C7H4Cl3NO2 |
|---|---|
| Molecular Weight | 238.93 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.93076 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 200711-45-1 |
|---|---|
| SMILES | COC(=O)C1=NC=C(C(=C1Cl)Cl)Cl |
| InChIKey | UPNBECMDFZBTBD-UHFFFAOYSA-N |
Product Overview
Methyl 3,4,5-trichloropyridine-2-carboxylate (CAS 200711-45-1), with molecular formula C7H4Cl3NO2 and molecular weight 238.93 g/mol. IUPAC: methyl 3,4,5-trichloropyridine-2-carboxylate.
Chemical Property Profile of Methyl 3,4,5-trichloropyridine-2-carboxylate
Property Insights of Methyl 3,4,5-trichloropyridine-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4,5-trichloropyridine-2-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 3,4,5-trichloropyridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4,5-trichloropyridine-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 3,4,5-trichloropyridine-2-carboxylate?
The CAS number of Methyl 3,4,5-trichloropyridine-2-carboxylate is 200711-45-1.
What is the molecular formula of Methyl 3,4,5-trichloropyridine-2-carboxylate?
The molecular formula of Methyl 3,4,5-trichloropyridine-2-carboxylate is C7H4Cl3NO2.
What is the molecular weight of Methyl 3,4,5-trichloropyridine-2-carboxylate?
The molecular weight of Methyl 3,4,5-trichloropyridine-2-carboxylate is 238.93 g/mol.
Where can I buy Methyl 3,4,5-trichloropyridine-2-carboxylate?
You can request a quote for Methyl 3,4,5-trichloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,5-trichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5-trichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.