3-Epimacronine
TL;DR: 3-Epimacronine (CAS 17322-73-5) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one
Also Known As: 3-Epimacronine, 3-epi-Macronine, (+)-3-Epimacronine, methoxy(methyl)[?]one, (+)-3-epi-Macronine
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 17322-73-5 |
|---|---|
| SMILES | CN1C[C@H]2[C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4C(=O)O2)OCO5 |
| InChIKey | YEISBJOTHHFANE-NJVUAGGXSA-N |
Product Overview
3-Epimacronine (CAS 17322-73-5), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: (1S,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one.
Chemical Property Profile of 3-Epimacronine
Property Insights of 3-Epimacronine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Epimacronine. With a topological polar surface area (TPSA) of 57.2 Ų, 3-Epimacronine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Epimacronine has 0 hydrogen bond donor(s) and 6 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-Epimacronine?
The CAS number of 3-Epimacronine is 17322-73-5.
What is the molecular formula of 3-Epimacronine?
The molecular formula of 3-Epimacronine is C18H19NO5.
What is the molecular weight of 3-Epimacronine?
The molecular weight of 3-Epimacronine is 329.13 g/mol.
Where can I buy 3-Epimacronine?
You can request a quote for 3-Epimacronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Epimacronine?
Yes, KEHONG BIO provides custom synthesis services for 3-Epimacronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.