2-(3-羟基吡啶-1-鎓-1-基)丁酸
TL;DR: 2-(3-羟基吡啶-1-鎓-1-基)丁酸 (CAS 139693-82-6) is a chemical compound with molecular formula C9H12NO3+ and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-羟基吡啶-1-鎓-1-基)丁酸
2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid
Also Known As: 2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid, 2-(5-hydroxypyridin-1-yl)butanoic Acid, 1-(1-Carboxypropyl)-3-hydroxypyridin-1-ium, 3-Hydroxy-1-(1-carboxypropyl)pyridin-1-ium
| Molecular Formula | C9H12NO3+ |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08171 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 139693-82-6 |
|---|---|
| SMILES | CCC(C(=O)O)[N+]1=CC=CC(=C1)O |
| InChIKey | COKWHEHEXGECHT-UHFFFAOYSA-O |
Product Overview
2-(3-羟基吡啶-1-鎓-1-基)丁酸 (CAS 139693-82-6), with molecular formula C9H12NO3+ and molecular weight 182.08 g/mol. IUPAC: 2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid.
Chemical Property Profile of 2-(3-羟基吡啶-1-鎓-1-基)丁酸
Property Insights of 2-(3-羟基吡啶-1-鎓-1-基)丁酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-羟基吡啶-1-鎓-1-基)丁酸. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-羟基吡啶-1-鎓-1-基)丁酸. Following Lipinski's Rule of Five, 2-(3-羟基吡啶-1-鎓-1-基)丁酸 has 2 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 2-(3-羟基吡啶-1-鎓-1-基)丁酸?
The CAS number of 2-(3-羟基吡啶-1-鎓-1-基)丁酸 is 139693-82-6.
What is the molecular formula of 2-(3-羟基吡啶-1-鎓-1-基)丁酸?
The molecular formula of 2-(3-羟基吡啶-1-鎓-1-基)丁酸 is C9H12NO3+.
What is the molecular weight of 2-(3-羟基吡啶-1-鎓-1-基)丁酸?
The molecular weight of 2-(3-羟基吡啶-1-鎓-1-基)丁酸 is 182.08 g/mol.
Where can I buy 2-(3-羟基吡啶-1-鎓-1-基)丁酸?
You can request a quote for 2-(3-羟基吡啶-1-鎓-1-基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-羟基吡啶-1-鎓-1-基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-羟基吡啶-1-鎓-1-基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.