2,2'-(Heptylimino)bisethanol
TL;DR: 2,2'-(Heptylimino)bisethanol (CAS 52891-01-7) is a chemical compound with molecular formula C11H25NO2 and molecular weight 203.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[heptyl(2-hydroxyethyl)amino]ethanol
Also Known As: 2,2'-(Heptylimino)bisethanol, heptyldiethanolamine, n-heptyldiethanolamine, 2,2'-(heptylimino)diethanol, 2,2-(heptylimino)bisethanol
| Molecular Formula | C11H25NO2 |
|---|---|
| Molecular Weight | 203.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 203.18852 |
| Heavy Atoms | 14 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 52891-01-7 |
|---|---|
| SMILES | CCCCCCCN(CCO)CCO |
| InChIKey | YRQDJBCEANHKAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(Heptylimino)bisethanol (CAS 52891-01-7), with molecular formula C11H25NO2 and molecular weight 203.19 g/mol. IUPAC: 2-[heptyl(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of 2,2'-(Heptylimino)bisethanol
Property Insights of 2,2'-(Heptylimino)bisethanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(Heptylimino)bisethanol. With a topological polar surface area (TPSA) of 43.7 Ų, 2,2'-(Heptylimino)bisethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-(Heptylimino)bisethanol 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 2,2'-(Heptylimino)bisethanol?
The CAS number of 2,2'-(Heptylimino)bisethanol is 52891-01-7.
What is the molecular formula of 2,2'-(Heptylimino)bisethanol?
The molecular formula of 2,2'-(Heptylimino)bisethanol is C11H25NO2.
What is the molecular weight of 2,2'-(Heptylimino)bisethanol?
The molecular weight of 2,2'-(Heptylimino)bisethanol is 203.19 g/mol.
Where can I buy 2,2'-(Heptylimino)bisethanol?
You can request a quote for 2,2'-(Heptylimino)bisethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(Heptylimino)bisethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Heptylimino)bisethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.