4-Hydroxy-4-(3-pyridyl)-butanol
TL;DR: 4-Hydroxy-4-(3-pyridyl)-butanol (CAS 76014-83-0) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-3-ylbutane-1,4-diol
Also Known As: 1-(3-PYRIDYL)-1,4-BUTANEDIOL, 1-(3-Pyridinyl)-1,4-butanediol, 1-pyridin-3-ylbutane-1,4-diol, Cotinine Impurity 10, 4-Hydroxy-4-(3-pyridyl)-butanol
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 76014-83-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(CCCO)O |
| InChIKey | RGJHRVMTLGLFPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-4-(3-pyridyl)-butanol (CAS 76014-83-0), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 1-pyridin-3-ylbutane-1,4-diol.
Chemical Property Profile of 4-Hydroxy-4-(3-pyridyl)-butanol
Property Insights of 4-Hydroxy-4-(3-pyridyl)-butanol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-(3-pyridyl)-butanol. With a topological polar surface area (TPSA) of 53.4 Ų, 4-Hydroxy-4-(3-pyridyl)-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-(3-pyridyl)-butanol 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 4-Hydroxy-4-(3-pyridyl)-butanol?
The CAS number of 4-Hydroxy-4-(3-pyridyl)-butanol is 76014-83-0.
What is the molecular formula of 4-Hydroxy-4-(3-pyridyl)-butanol?
The molecular formula of 4-Hydroxy-4-(3-pyridyl)-butanol is C9H13NO2.
What is the molecular weight of 4-Hydroxy-4-(3-pyridyl)-butanol?
The molecular weight of 4-Hydroxy-4-(3-pyridyl)-butanol is 167.09 g/mol.
Where can I buy 4-Hydroxy-4-(3-pyridyl)-butanol?
You can request a quote for 4-Hydroxy-4-(3-pyridyl)-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-(3-pyridyl)-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-(3-pyridyl)-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.