Toxiferine
TL;DR: Toxiferine (CAS 6888-23-9) is a chemical compound with molecular formula C40H46N4O2+2 and molecular weight 614.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol
Also Known As: Toxiferine I, C-Toxiferine I, SID:134222844, Toxiferine I, 2,2',16,16'-tetradehydro-16,16',17,17'-tetrahydro-, Benzamide,4-amino-5-chloro-2-methoxy-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)
| Molecular Formula | C40H46N4O2+2 |
|---|---|
| Molecular Weight | 614.36 g/mol |
| LogP | 4.3632 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 614.36206 |
| Heavy Atoms | 46 |
| Complexity | 1726.6727 |
Chemical Identifiers
| CAS Number | 6888-23-9 |
|---|---|
| SMILES | C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=C\CO)/C1)CC2 |
Product Overview
Toxiferine (CAS 6888-23-9), with molecular formula C40H46N4O2+2 and molecular weight 614.36 g/mol. IUPAC: (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol.
Chemical Property Profile of Toxiferine
Property Insights of Toxiferine
The XLogP value of 4.3632 indicates that Toxiferine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, Toxiferine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toxiferine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toxiferine?
The CAS number of Toxiferine is 6888-23-9.
What is the molecular formula of Toxiferine?
The molecular formula of Toxiferine is C40H46N4O2+2.
What is the molecular weight of Toxiferine?
The molecular weight of Toxiferine is 614.36 g/mol.
Where can I buy Toxiferine?
You can request a quote for Toxiferine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toxiferine?
Yes, KEHONG BIO provides custom synthesis services for Toxiferine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.