(S)-Edulinine
TL;DR: (S)-Edulinine (CAS 27495-36-9) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methylquinolin-2-one
Also Known As: Edulinine, (S)-Edulinine, (+)-Edulinine, (+/-)-edulinine, (+)-(R)-Edulinine
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 27495-36-9 |
|---|---|
| SMILES | CC(C)(C(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)O)O |
| InChIKey | NHNXJYYEQLVCAZ-UHFFFAOYSA-N |
Product Overview
(S)-Edulinine (CAS 27495-36-9), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methylquinolin-2-one.
Chemical Property Profile of (S)-Edulinine
Property Insights of (S)-Edulinine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Edulinine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Edulinine. Following Lipinski's Rule of Five, (S)-Edulinine has 2 hydrogen bond donor(s) and 4 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 (S)-Edulinine?
The CAS number of (S)-Edulinine is 27495-36-9.
What is the molecular formula of (S)-Edulinine?
The molecular formula of (S)-Edulinine is C16H21NO4.
What is the molecular weight of (S)-Edulinine?
The molecular weight of (S)-Edulinine is 291.15 g/mol.
Where can I buy (S)-Edulinine?
You can request a quote for (S)-Edulinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Edulinine?
Yes, KEHONG BIO provides custom synthesis services for (S)-Edulinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.