1-甲基吡啶-1-鎓-4-甲酸
TL;DR: 1-甲基吡啶-1-鎓-4-甲酸 (CAS 36455-39-7) 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.
1-甲基吡啶-1-鎓-4-甲酸
1-methylpyridin-1-ium-4-carboxylic acid
Also Known As: 1-Methyl-4-carboxypyridinium, Pyridinium, 4-carboxy-1-methyl-, 1-methylpyridin-1-ium-4-carboxylic acid
| Molecular Formula | C7H8NO2+ |
|---|---|
| Molecular Weight | 138.06 g/mol |
| LogP | 0.5 |
| 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 | 128.0 |
Chemical Identifiers
| CAS Number | 36455-39-7 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C(=O)O |
| InChIKey | QITIEADGFBVLCV-UHFFFAOYSA-O |
Product Overview
1-甲基吡啶-1-鎓-4-甲酸 (CAS 36455-39-7), with molecular formula C7H8NO2+ and molecular weight 138.06 g/mol. IUPAC: 1-methylpyridin-1-ium-4-carboxylic acid.
Chemical Property Profile of 1-甲基吡啶-1-鎓-4-甲酸
Property Insights of 1-甲基吡啶-1-鎓-4-甲酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基吡啶-1-鎓-4-甲酸. With a topological polar surface area (TPSA) of 41.2 Ų, 1-甲基吡啶-1-鎓-4-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基吡啶-1-鎓-4-甲酸 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 1-甲基吡啶-1-鎓-4-甲酸?
The CAS number of 1-甲基吡啶-1-鎓-4-甲酸 is 36455-39-7.
What is the molecular formula of 1-甲基吡啶-1-鎓-4-甲酸?
The molecular formula of 1-甲基吡啶-1-鎓-4-甲酸 is C7H8NO2+.
What is the molecular weight of 1-甲基吡啶-1-鎓-4-甲酸?
The molecular weight of 1-甲基吡啶-1-鎓-4-甲酸 is 138.06 g/mol.
Where can I buy 1-甲基吡啶-1-鎓-4-甲酸?
You can request a quote for 1-甲基吡啶-1-鎓-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基吡啶-1-鎓-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基吡啶-1-鎓-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.