Epimethoxylupanine
TL;DR: Epimethoxylupanine (CAS 38521-66-3) is a chemical compound with molecular formula C16H26N2O2 and molecular weight 278.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,9R,10S,12R)-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Also Known As: Epimethoxylupanine, O-Methyljamaidine, 13beta-Methoxylupanine, Sodium o-allylphenoxide, 13-Methoxyspartein-2-one
| Molecular Formula | C16H26N2O2 |
|---|---|
| Molecular Weight | 278.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.19943 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 38521-66-3 |
|---|---|
| SMILES | CO[C@@H]1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@H]3CCCC4=O |
| InChIKey | NFCKZRHDRGPCSU-ZSAUSMIDSA-N |
Product Overview
Epimethoxylupanine (CAS 38521-66-3), with molecular formula C16H26N2O2 and molecular weight 278.20 g/mol. IUPAC: (1R,2S,9R,10S,12R)-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
Chemical Property Profile of Epimethoxylupanine
Property Insights of Epimethoxylupanine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epimethoxylupanine. With a topological polar surface area (TPSA) of 32.8 Ų, Epimethoxylupanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epimethoxylupanine has 0 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 Epimethoxylupanine?
The CAS number of Epimethoxylupanine is 38521-66-3.
What is the molecular formula of Epimethoxylupanine?
The molecular formula of Epimethoxylupanine is C16H26N2O2.
What is the molecular weight of Epimethoxylupanine?
The molecular weight of Epimethoxylupanine is 278.20 g/mol.
Where can I buy Epimethoxylupanine?
You can request a quote for Epimethoxylupanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epimethoxylupanine?
Yes, KEHONG BIO provides custom synthesis services for Epimethoxylupanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.