异乙替酸
TL;DR: 异乙替酸 (CAS 38775-99-4) is a chemical compound with molecular formula C7H8NO2+ and molecular weight 138.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异乙替酸
1-methylpyridin-1-ium-2-carboxylic acid
Also Known As: Isoetianic acid, 2-carboxy-1-methylpyridinium, 3-Hydroxyetianic acid, 3alpha-Hydroxy-5beta-etianic acid, 1-methylpyridin-1-ium-2-carboxylic acid
| Molecular Formula | C7H8NO2+ |
|---|---|
| Molecular Weight | 138.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0555 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 38775-99-4 |
|---|---|
| SMILES | C[N+]1=CC=CC=C1C(=O)O |
| InChIKey | BRTLKRNVNFIOPJ-UHFFFAOYSA-O |
Product Overview
异乙替酸 (CAS 38775-99-4), with molecular formula C7H8NO2+ and molecular weight 138.06 g/mol. IUPAC: 1-methylpyridin-1-ium-2-carboxylic acid.
Chemical Property Profile of 异乙替酸
Property Insights of 异乙替酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异乙替酸. With a topological polar surface area (TPSA) of 41.2 Ų, 异乙替酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Carboxy-1-methylpyridinium has 1 hydrogen bond donor(s) and 2 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 2-Carboxy-1-methylpyridinium?
The CAS number of 2-Carboxy-1-methylpyridinium is 38775-99-4.
What is the molecular formula of 2-Carboxy-1-methylpyridinium?
The molecular formula of 2-Carboxy-1-methylpyridinium is C7H8NO2+.
What is the molecular weight of 2-Carboxy-1-methylpyridinium?
The molecular weight of 2-Carboxy-1-methylpyridinium is 138.06 g/mol.
Where can I buy 2-Carboxy-1-methylpyridinium?
You can request a quote for 2-Carboxy-1-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carboxy-1-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 2-Carboxy-1-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.