2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate
TL;DR: 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate (CAS 97635-45-5) is a chemical compound with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3,6-dichloropyridine-2-carboxylate
Also Known As: 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate, 3,6-Dichloro-2-pyridinecarboxylic acid 2-ethylhexyl ester, 2-Pyridinecarboxylic acid, 3,6-dichloro-, 2-ethylhexyl ester, , CID175711, 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate, 97635-45-5, EINECS 307-405-4
| Molecular Formula | C14H19Cl2NO2 |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.07928 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 97635-45-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=C(C=CC(=N1)Cl)Cl |
| InChIKey | BOOFNDJFNWCPQD-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate (CAS 97635-45-5), with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol. IUPAC: 2-ethylhexyl 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate
Property Insights of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 5.8 indicates that 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate is 97635-45-5.
What is the molecular formula of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate is C14H19Cl2NO2.
What is the molecular weight of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate is 303.08 g/mol.
Where can I buy 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.