Trilobine
TL;DR: Trilobine (CAS 66586-95-6) is a chemical compound with molecular formula C35H34N2O5 and molecular weight 562.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
Also Known As: Trilobine, trilobin, TRILOBINE [MI], 6',7-epoxy-6,12'-dimethoxy-2'methyl-1'a-oxyacanthan, 6,12'-Dimethoxy-2'-methyl-6',7-epoxyoxyacanthan
| Molecular Formula | C35H34N2O5 |
|---|---|
| Molecular Weight | 562.25 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 562.24677 |
| Heavy Atoms | 42 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 66586-95-6 |
|---|---|
| SMILES | CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
| InChIKey | XZAXGQMTBGFTFE-SVBPBHIXSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trilobine (CAS 66586-95-6), with molecular formula C35H34N2O5 and molecular weight 562.25 g/mol. IUPAC: (8S,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene.
Chemical Property Profile of Trilobine
Property Insights of Trilobine
The XLogP value of 5.9 indicates that Trilobine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Trilobine. Following Lipinski's Rule of Five, Trilobine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trilobine?
The CAS number of Trilobine is 66586-95-6.
What is the molecular formula of Trilobine?
The molecular formula of Trilobine is C35H34N2O5.
What is the molecular weight of Trilobine?
The molecular weight of Trilobine is 562.25 g/mol.
Where can I buy Trilobine?
You can request a quote for Trilobine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trilobine?
Yes, KEHONG BIO provides custom synthesis services for Trilobine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.