3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester
TL;DR: 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester (CAS 39998-23-7) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-methyl-4H-pyridin-3-yl)acetate
Also Known As: 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester, methyl 2-(1-methyl-4H-pyridin-3-yl)acetate, Methyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate, 1,4-Dihydro-1-methyl-3-pyridineacetic acid methyl ester, methyl (1-methyl-1,4-dihydropyridin-3-yl)acetate
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 39998-23-7 |
|---|---|
| SMILES | CN1C=CCC(=C1)CC(=O)OC |
| InChIKey | YMGFECXAXAXEOP-UHFFFAOYSA-N |
Product Overview
3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester (CAS 39998-23-7), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: methyl 2-(1-methyl-4H-pyridin-3-yl)acetate.
Chemical Property Profile of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester
Property Insights of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester 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 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester?
The CAS number of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester is 39998-23-7.
What is the molecular formula of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester?
The molecular formula of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester is C9H13NO2.
What is the molecular weight of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester?
The molecular weight of 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester is 167.09 g/mol.
Where can I buy 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester?
You can request a quote for 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.