Methyl 2-chloropyridine-3-carboxylate
TL;DR: Methyl 2-chloropyridine-3-carboxylate (CAS 4038-54-4) is a chemical compound with molecular formula C18H16F3NO4 and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Also Known As: Methyl 2-chloropyridine-3-carboxylate, J2.052.695E, n-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydro, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
| Molecular Formula | C18H16F3NO4 |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.10315 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 4038-54-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=C(C=C3)O)C(=O)C(F)(F)F |
| InChIKey | FVOHWJUBZNYSHR-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloropyridine-3-carboxylate (CAS 4038-54-4), with molecular formula C18H16F3NO4 and molecular weight 367.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
Chemical Property Profile of Methyl 2-chloropyridine-3-carboxylate
Property Insights of Methyl 2-chloropyridine-3-carboxylate
The XLogP value of 3.7 indicates that Methyl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Methyl 2-chloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-chloropyridine-3-carboxylate?
The CAS number of Methyl 2-chloropyridine-3-carboxylate is 4038-54-4.
What is the molecular formula of Methyl 2-chloropyridine-3-carboxylate?
The molecular formula of Methyl 2-chloropyridine-3-carboxylate is C18H16F3NO4.
What is the molecular weight of Methyl 2-chloropyridine-3-carboxylate?
The molecular weight of Methyl 2-chloropyridine-3-carboxylate is 367.10 g/mol.
Where can I buy Methyl 2-chloropyridine-3-carboxylate?
You can request a quote for Methyl 2-chloropyridine-3-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-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.