Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride
TL;DR: Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (CAS 93101-56-5) is a chemical compound with molecular formula C10H18ClNO2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate chloride
Also Known As: Ethyl 1,4-dimethyl-1,2,5,6-tetrahydronicotinate hydrochloride, NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1,4-DIMETHYL-, ETHYL ESTER, HYDROCHLORIDE, ETHYL 1,4-DIMETHYL-1,2,3,6-TETRAHYDROPYRIDIN-1-IUM-5-CARBOXYLATECHLORIDE, ethyl 1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate chloride, RefChem:1092392
| Molecular Formula | C10H18ClNO2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | -3.21 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.1026 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 93101-56-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(CC[NH+](C1)C)C.[Cl-] |
| InChIKey | OKJAULUGMGEONM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride (CAS 93101-56-5), with molecular formula C10H18ClNO2 and molecular weight 219.10 g/mol. IUPAC: ethyl 1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate chloride.
Chemical Property Profile of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride
Property Insights of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride
The XLogP value of -3.21 indicates that Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl 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, Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl 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 Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride?
The CAS number of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride is 93101-56-5.
What is the molecular formula of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride?
The molecular formula of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride is C10H18ClNO2.
What is the molecular weight of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride?
The molecular weight of Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride is 219.10 g/mol.
Where can I buy Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride?
You can request a quote for Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.