3-(N-ethylanilino)propane-1,2-diol
TL;DR: 3-(N-ethylanilino)propane-1,2-diol (CAS 92-58-0) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethylanilino)propane-1,2-diol
Also Known As: 3-(N-ethylanilino)propane-1,2-diol, 3-N-Ethylanilino-1,2-propanesiol, 1,2-Propanediol, 3-(ethylphenylamino)-, 1,2-Propanediol, 3-(N-ethylanilino)-, 3-(N-ethyl-anilino)-propane-1,2-diol
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 92-58-0 |
|---|---|
| SMILES | CCN(CC(CO)O)C1=CC=CC=C1 |
| InChIKey | SAOJIGZKFVGZDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(N-ethylanilino)propane-1,2-diol (CAS 92-58-0), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: 3-(N-ethylanilino)propane-1,2-diol.
Chemical Property Profile of 3-(N-ethylanilino)propane-1,2-diol
Property Insights of 3-(N-ethylanilino)propane-1,2-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-ethylanilino)propane-1,2-diol. With a topological polar surface area (TPSA) of 43.7 Ų, 3-(N-ethylanilino)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(N-ethylanilino)propane-1,2-diol 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 3-(N-ethylanilino)propane-1,2-diol?
The CAS number of 3-(N-ethylanilino)propane-1,2-diol is 92-58-0.
What is the molecular formula of 3-(N-ethylanilino)propane-1,2-diol?
The molecular formula of 3-(N-ethylanilino)propane-1,2-diol is C11H17NO2.
What is the molecular weight of 3-(N-ethylanilino)propane-1,2-diol?
The molecular weight of 3-(N-ethylanilino)propane-1,2-diol is 195.13 g/mol.
Where can I buy 3-(N-ethylanilino)propane-1,2-diol?
You can request a quote for 3-(N-ethylanilino)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-ethylanilino)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-ethylanilino)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.