a-Truxilline
TL;DR: a-Truxilline (CAS 490-17-5) is a chemical compound with molecular formula C38H46N2O8 and molecular weight 658.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(1R,2R,3S,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate
Also Known As: a-Truxilline, Alpha-Truxilline, Cocamine, ?-Truxilline, Truxilline, alpha-
| Molecular Formula | C38H46N2O8 |
|---|---|
| Molecular Weight | 658.33 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 658.32544 |
| Heavy Atoms | 48 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 490-17-5 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3C(C(C3C4=CC=CC=C4)C(=O)O[C@H]5C[C@@H]6CC[C@H]([C@H]5C(=O)OC)N6C)C7=CC=CC=C7)C(=O)OC |
| InChIKey | BUOSLGZEBFSUDD-BGPZCGNYSA-N |
Product Overview
a-Truxilline (CAS 490-17-5), with molecular formula C38H46N2O8 and molecular weight 658.33 g/mol. IUPAC: bis[(1R,2R,3S,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate.
Chemical Property Profile of a-Truxilline
Property Insights of a-Truxilline
The XLogP value of 4.6 indicates that a-Truxilline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for a-Truxilline. Following Lipinski's Rule of Five, a-Truxilline has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of a-Truxilline?
The CAS number of a-Truxilline is 490-17-5.
What is the molecular formula of a-Truxilline?
The molecular formula of a-Truxilline is C38H46N2O8.
What is the molecular weight of a-Truxilline?
The molecular weight of a-Truxilline is 658.33 g/mol.
Where can I buy a-Truxilline?
You can request a quote for a-Truxilline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for a-Truxilline?
Yes, KEHONG BIO provides custom synthesis services for a-Truxilline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.