Ethyl 6-methoxynicotinate
TL;DR: Ethyl 6-methoxynicotinate (CAS 74925-37-4) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methoxypyridine-3-carboxylate
Also Known As: Ethyl 6-methoxynicotinate, ethyl 6-methoxypyridine-3-carboxylate, Ethyl6-methoxynicotinate, 3-PYRIDINECARBOXYLICACID, 6-METHOXY-, ETHYL ESTER, InChI=1/C9H11NO3/c1-3-13-9(11)7-4-5-8(12-2)10-6-7/h4-6H,3H2,1-2H
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 74925-37-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(C=C1)OC |
| InChIKey | SFGDMSHXYHMQKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-methoxynicotinate (CAS 74925-37-4), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: ethyl 6-methoxypyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6-methoxynicotinate
Property Insights of Ethyl 6-methoxynicotinate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methoxynicotinate. With a topological polar surface area (TPSA) of 48.4 Ų, Ethyl 6-methoxynicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-methoxynicotinate 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 6-methoxynicotinate?
The CAS number of Ethyl 6-methoxynicotinate is 74925-37-4.
What is the molecular formula of Ethyl 6-methoxynicotinate?
The molecular formula of Ethyl 6-methoxynicotinate is C9H11NO3.
What is the molecular weight of Ethyl 6-methoxynicotinate?
The molecular weight of Ethyl 6-methoxynicotinate is 181.07 g/mol.
Where can I buy Ethyl 6-methoxynicotinate?
You can request a quote for Ethyl 6-methoxynicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-methoxynicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methoxynicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.