Nortrilobine
TL;DR: Nortrilobine (CAS 91897-39-1) is a chemical compound with molecular formula C34H32N2O5 and molecular weight 548.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,21S)-13,27-dimethoxy-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: Nortrilobine, N2'-Demethyltrilobine, 6,12'-Dimethoxy-6',7-epoxyoxyacanthan, 6,12'-Dimethoxy-1'alpha-6',7-epoxyoxyacanthan, Oxyacanthan, 6',7-epoxy-6,12'-dimethoxy-, (1'alpha)-
| Molecular Formula | C34H32N2O5 |
|---|---|
| Molecular Weight | 548.23 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 548.23114 |
| Heavy Atoms | 41 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 91897-39-1 |
|---|---|
| SMILES | COC1=C2C=C(C[C@H]3C4=CC5=C(C=C4CCN3)OC6=C(C=C7CCN[C@H](C7=C6O5)CC8=CC=C(O2)C=C8)OC)C=C1 |
| InChIKey | IIWFTBFEFXXRQB-UIOOFZCWSA-N |
Product Overview
Nortrilobine (CAS 91897-39-1), with molecular formula C34H32N2O5 and molecular weight 548.23 g/mol. IUPAC: (8S,21S)-13,27-dimethoxy-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 Nortrilobine
Property Insights of Nortrilobine
The XLogP value of 5.4 indicates that Nortrilobine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nortrilobine. Following Lipinski's Rule of Five, Nortrilobine has 2 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 Nortrilobine?
The CAS number of Nortrilobine is 91897-39-1.
What is the molecular formula of Nortrilobine?
The molecular formula of Nortrilobine is C34H32N2O5.
What is the molecular weight of Nortrilobine?
The molecular weight of Nortrilobine is 548.23 g/mol.
Where can I buy Nortrilobine?
You can request a quote for Nortrilobine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nortrilobine?
Yes, KEHONG BIO provides custom synthesis services for Nortrilobine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.