1-苄基-3-羧基吡啶氯化物
TL;DR: 1-苄基-3-羧基吡啶氯化物 (CAS 16214-98-5) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苄基-3-羧基吡啶氯化物
1-benzylpyridin-1-ium-3-carboxylic acid chloride
Also Known As: 1-Benzyl-3-carboxypyridinium chloride, Pyridinium, chloride, Nicotinic acid-benzyl chloride quat, N-Benzyl-3-carboxypyridinium chloride, 3-Carboxy-1-benzylpyridinium chloride
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 41.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 16214-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)O.[Cl-] |
| InChIKey | VSRWCQJUAYPITR-UHFFFAOYSA-N |
Product Overview
1-苄基-3-羧基吡啶氯化物 (CAS 16214-98-5), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-carboxylic acid chloride.
Chemical Property Profile of 1-苄基-3-羧基吡啶氯化物
Property Insights of 1-苄基-3-羧基吡啶氯化物
The XLogP value of -1.28 indicates that 1-苄基-3-羧基吡啶氯化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.2 Ų, 1-苄基-3-羧基吡啶氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苄基-3-羧基吡啶氯化物 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 1-苄基-3-羧基吡啶氯化物?
The CAS number of 1-苄基-3-羧基吡啶氯化物 is 16214-98-5.
What is the molecular formula of 1-苄基-3-羧基吡啶氯化物?
The molecular formula of 1-苄基-3-羧基吡啶氯化物 is C13H12ClNO2.
What is the molecular weight of 1-苄基-3-羧基吡啶氯化物?
The molecular weight of 1-苄基-3-羧基吡啶氯化物 is 249.06 g/mol.
Where can I buy 1-苄基-3-羧基吡啶氯化物?
You can request a quote for 1-苄基-3-羧基吡啶氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苄基-3-羧基吡啶氯化物?
Yes, KEHONG BIO provides custom synthesis services for 1-苄基-3-羧基吡啶氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.