Etilefrine, (S)-
TL;DR: Etilefrine, (S)- (CAS 95585-90-3) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S)-2-(ethylamino)-1-hydroxyethyl]phenol
Also Known As: Betaquil, Etilefrine, (S)-, 3-[(1S)-2-(ethylamino)-1-hydroxyethyl]phenol, (S)-3-(2-(ethylamino)-1-hydroxyethyl)phenol, Benzenemethanol, alpha-((ethylamino)methyl)-3-hydroxy-, (S)-
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.0351 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 262.8566 |
Chemical Identifiers
| CAS Number | 95585-90-3 |
|---|---|
| SMILES | CCNC[C@H](C1=CC(=CC=C1)O)O |
Product Overview
Etilefrine, (S)- (CAS 95585-90-3), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 3-[(1S)-2-(ethylamino)-1-hydroxyethyl]phenol.
Chemical Property Profile of Etilefrine, (S)-
Property Insights of Etilefrine, (S)-
The XLogP value of 1.0351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etilefrine, (S)-. With a topological polar surface area (TPSA) of 52.49 Ų, Etilefrine, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etilefrine, (S)- has 3 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 Etilefrine, (S)-?
The CAS number of Etilefrine, (S)- is 95585-90-3.
What is the molecular formula of Etilefrine, (S)-?
The molecular formula of Etilefrine, (S)- is C10H15NO2.
What is the molecular weight of Etilefrine, (S)-?
The molecular weight of Etilefrine, (S)- is 181.11 g/mol.
Where can I buy Etilefrine, (S)-?
You can request a quote for Etilefrine, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etilefrine, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Etilefrine, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.