Lycophlegmarine
TL;DR: Lycophlegmarine (CAS 80953-35-1) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6S,8S,9E)-8-hydroxy-3-methoxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one
Also Known As: Lycophlegmarine, 13H-Indeno(1,7a-e)azonin-13-one, 1,2,3,4,5,6,8,9,9a,10-decahydro-8-hydroxy-12-methoxy-4,11-dimethyl-, (8S,9aS,13aS)-, (1S,6S,8S,9E)-8-hydroxy-3-methoxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one, (1S,6S,8S,9E)-8-hydroxy-3-methoxy-4,13-dimethyl-13-azatricyclo(7.7.0.01,6)hexadeca-3,9-dien-2-one, RefChem:154624
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 2.2889 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 536.4504 |
Chemical Identifiers
| CAS Number | 80953-35-1 |
|---|---|
| SMILES | CC1=C(C(=O)[C@]/23CCCN(CC/C=C2/[C@H](C[C@@H]3C1)O)C)OC |
Product Overview
Lycophlegmarine (CAS 80953-35-1), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: (1S,6S,8S,9E)-8-hydroxy-3-methoxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one.
Chemical Property Profile of Lycophlegmarine
Property Insights of Lycophlegmarine
The XLogP value of 2.2889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lycophlegmarine. With a topological polar surface area (TPSA) of 49.77 Ų, Lycophlegmarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lycophlegmarine has 1 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 Lycophlegmarine?
The CAS number of Lycophlegmarine is 80953-35-1.
What is the molecular formula of Lycophlegmarine?
The molecular formula of Lycophlegmarine is C18H27NO3.
What is the molecular weight of Lycophlegmarine?
The molecular weight of Lycophlegmarine is 305.20 g/mol.
Where can I buy Lycophlegmarine?
You can request a quote for Lycophlegmarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lycophlegmarine?
Yes, KEHONG BIO provides custom synthesis services for Lycophlegmarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.