Nauclefiline
TL;DR: Nauclefiline (CAS 102358-19-0) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,19E,20S)-19-ethylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
Also Known As: Nauclefiline, Oxayohimban-21-one, 19,20-didehydro-16-ethylidene-, (15beta,16E)-, (1S,19E,20S)-19-ethylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one, Oxayohimban-21-one,19,20-didehydro-16-ethylidene-,(15beta,16E), RefChem:164876
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 3.474 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 905.49963 |
Chemical Identifiers
| CAS Number | 102358-19-0 |
|---|---|
| SMILES | C/C=C\1/COC=C2[C@H]1C[C@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
Product Overview
Nauclefiline (CAS 102358-19-0), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: (1S,19E,20S)-19-ethylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one.
Chemical Property Profile of Nauclefiline
Property Insights of Nauclefiline
The XLogP value of 3.474 indicates that Nauclefiline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.33 Ų, Nauclefiline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nauclefiline has 1 hydrogen bond donor(s) and 2 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 Nauclefiline?
The CAS number of Nauclefiline is 102358-19-0.
What is the molecular formula of Nauclefiline?
The molecular formula of Nauclefiline is C20H20N2O2.
What is the molecular weight of Nauclefiline?
The molecular weight of Nauclefiline is 320.15 g/mol.
Where can I buy Nauclefiline?
You can request a quote for Nauclefiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nauclefiline?
Yes, KEHONG BIO provides custom synthesis services for Nauclefiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.