假氧烟碱
TL;DR: 假氧烟碱 (CAS 2055-23-4) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
假氧烟碱
4-(methylamino)-1-pyridin-3-ylbutan-1-one
Also Known As: pseudooxynicotine, 4-(methylamino)-1-(pyridin-3-yl)butan-1-one, 4-(methylamino)-1-(3-pyridyl)-1-butanone, 4-(methylamino)-1-pyridin-3-ylbutan-1-one, 4-(methylamino)-1-(3-pyridinyl)-1-butanone
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 2055-23-4 |
|---|---|
| SMILES | CNCCCC(=O)C1=CN=CC=C1 |
| InChIKey | SGDIDUFQYHRMPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
假氧烟碱 (CAS 2055-23-4), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: 4-(methylamino)-1-pyridin-3-ylbutan-1-one.
Chemical Property Profile of 假氧烟碱
Property Insights of 假氧烟碱
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 假氧烟碱. With a topological polar surface area (TPSA) of 42.0 Ų, 假氧烟碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 假氧烟碱 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 假氧烟碱?
The CAS number of 假氧烟碱 is 2055-23-4.
What is the molecular formula of 假氧烟碱?
The molecular formula of 假氧烟碱 is C10H14N2O.
What is the molecular weight of 假氧烟碱?
The molecular weight of 假氧烟碱 is 178.11 g/mol.
Where can I buy 假氧烟碱?
You can request a quote for 假氧烟碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 假氧烟碱?
Yes, KEHONG BIO provides custom synthesis services for 假氧烟碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.