Einecs 251-319-9
TL;DR: Einecs 251-319-9 (CAS 32981-34-3) is a chemical compound with molecular formula C18H24N2O4 and molecular weight 332.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(butylamino)-1-hydroxyethyl]phenol;pyridine-3-carboxylic acid
Also Known As: EINECS 251-319-9, Nicotinic acid, compound with alpha-((butylamino)methyl)-p-hydroxybenzyl alcohol, 4-[2-(butylamino)-1-hydroxyethyl]phenol; pyridine-3-carboxylic acid, Pyridine-3-carboxylato--4-[2-(butylamino)-1-hydroxyethyl]phenolato (1/1), Pyridine-3-carboxylic acid--4-[2-(butylamino)-1-hydroxyethyl]phenol (1/1)
| Molecular Formula | C18H24N2O4 |
|---|---|
| Molecular Weight | 332.17 g/mol |
| LogP | 2.5951 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1736 |
| Heavy Atoms | 24 |
| Complexity | 587.7276 |
Chemical Identifiers
| CAS Number | 32981-34-3 |
|---|---|
| SMILES | CCCCNCC(C1=CC=C(C=C1)O)O.C1=CC(=CN=C1)C(=O)O |
Product Overview
Einecs 251-319-9 (CAS 32981-34-3), with molecular formula C18H24N2O4 and molecular weight 332.17 g/mol. IUPAC: 4-[2-(butylamino)-1-hydroxyethyl]phenol;pyridine-3-carboxylic acid.
Chemical Property Profile of Einecs 251-319-9
Property Insights of Einecs 251-319-9
The XLogP value of 2.5951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 251-319-9. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 251-319-9. Following Lipinski's Rule of Five, Einecs 251-319-9 has 4 hydrogen bond donor(s) and 5 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 Einecs 251-319-9?
The CAS number of Einecs 251-319-9 is 32981-34-3.
What is the molecular formula of Einecs 251-319-9?
The molecular formula of Einecs 251-319-9 is C18H24N2O4.
What is the molecular weight of Einecs 251-319-9?
The molecular weight of Einecs 251-319-9 is 332.17 g/mol.
Where can I buy Einecs 251-319-9?
You can request a quote for Einecs 251-319-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 251-319-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 251-319-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.