3-吡啶丁酸
TL;DR: 3-吡啶丁酸 (CAS 17270-50-7) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-吡啶丁酸
4-pyridin-3-ylbutanoic acid
Also Known As: 3-pyridinebutanoic acid, 4-(pyridin-3-yl)butanoic acid, 4-pyridin-3-ylbutanoic acid, 3-Pyridinebutanoate, 4-Pyridin-3-ylbutanoate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 17270-50-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)CCCC(=O)O |
| InChIKey | MFYZACBRKCFXDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-吡啶丁酸 (CAS 17270-50-7), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 4-pyridin-3-ylbutanoic acid.
Chemical Property Profile of 3-吡啶丁酸
Property Insights of 3-吡啶丁酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-吡啶丁酸. With a topological polar surface area (TPSA) of 50.2 Ų, 3-吡啶丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-吡啶丁酸 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 3-吡啶丁酸?
The CAS number of 3-吡啶丁酸 is 17270-50-7.
What is the molecular formula of 3-吡啶丁酸?
The molecular formula of 3-吡啶丁酸 is C9H11NO2.
What is the molecular weight of 3-吡啶丁酸?
The molecular weight of 3-吡啶丁酸 is 165.08 g/mol.
Where can I buy 3-吡啶丁酸?
You can request a quote for 3-吡啶丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-吡啶丁酸?
Yes, KEHONG BIO provides custom synthesis services for 3-吡啶丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.