Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide
TL;DR: Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide (CAS 6027-10-7) is a chemical compound with molecular formula C9H16BrNO2 and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
Also Known As: NA 217 (pharmaceutical), Ethyl 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylate hydrobromide, Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide, ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
| Molecular Formula | C9H16BrNO2 |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 1.3893 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.03644 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 6027-10-7 |
|---|---|
| SMILES | CCOC(=O)C1=CCCN(C1)C.Br |
| InChIKey | LNCZTSJVJMBYFM-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide (CAS 6027-10-7), with molecular formula C9H16BrNO2 and molecular weight 249.04 g/mol. IUPAC: ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide.
Chemical Property Profile of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide
Property Insights of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide
The XLogP value of 1.3893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide. With a topological polar surface area (TPSA) of 29.5 Ų, Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide 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-methyl-, ethyl ester, hydrobromide?
The CAS number of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide is 6027-10-7.
What is the molecular formula of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide?
The molecular formula of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide is C9H16BrNO2.
What is the molecular weight of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide?
The molecular weight of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide is 249.04 g/mol.
Where can I buy Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide?
You can request a quote for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide 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-methyl-, ethyl ester, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.