Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride
TL;DR: Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride (CAS 52632-29-8) is a chemical compound with molecular formula C8H14ClNO2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate chloride
Also Known As: isonicotinic acid hydrochloride, Methyl 1-methyl-1,2,3,6-tetrahydroisonicotinate hydrochloride, ISONICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER, HYDROCHLORIDE, methyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate hydrochloride, methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate chloride
| Molecular Formula | C8H14ClNO2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | -3.99 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0713 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 52632-29-8 |
|---|---|
| SMILES | C[NH+]1CCC(=CC1)C(=O)OC.[Cl-] |
| InChIKey | ACZLGIGMHGHJGH-UHFFFAOYSA-N |
Product Overview
Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride (CAS 52632-29-8), with molecular formula C8H14ClNO2 and molecular weight 191.07 g/mol. IUPAC: methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate chloride.
Chemical Property Profile of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride
Property Insights of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride
The XLogP value of -3.99 indicates that Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride has 1 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 Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride?
The CAS number of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride is 52632-29-8.
What is the molecular formula of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride?
The molecular formula of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride is C8H14ClNO2.
What is the molecular weight of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride?
The molecular weight of Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride is 191.07 g/mol.
Where can I buy Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride?
You can request a quote for Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.