omega-Truxilline
TL;DR: omega-Truxilline (CAS 12795-67-4) 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,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (1R,2S,3S,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylate
Also Known As: omega-Truxilline, 1,2-Cyclobutanedicarboxylicacid, 3,4-diphenyl-,bis[(1R,2R,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]ester, (1R,2S,3S,4R)- (9CI), 3alpha,4alpha-Diphenylcyclobutane-1beta,2alpha-dicarboxylic acid bis[(1R,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicy, bis[(1r,2r,5s)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl](1r,2s,3s,4r)-3,4-diphenylcyclobutane-1,2-dicarboxylate, bis[(1R,2R,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (1S,2R,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
| 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 | 1120.0 |
Chemical Identifiers
| CAS Number | 12795-67-4 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H](C(C2)OC(=O)[C@@H]3[C@@H]([C@@H]([C@@H]3C(=O)OC4C[C@@H]5CC[C@H]([C@H]4C(=O)OC)N5C)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC |
| InChIKey | SYSWFFZJNZSEIZ-SQMRUFMQSA-N |
Product Overview
omega-Truxilline (CAS 12795-67-4), with molecular formula C38H46N2O8 and molecular weight 658.33 g/mol. IUPAC: bis[(1R,2R,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (1R,2S,3S,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylate.
Chemical Property Profile of omega-Truxilline
Property Insights of omega-Truxilline
The XLogP value of 4.6 indicates that omega-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 omega-Truxilline. Following Lipinski's Rule of Five, omega-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 omega-Truxilline?
The CAS number of omega-Truxilline is 12795-67-4.
What is the molecular formula of omega-Truxilline?
The molecular formula of omega-Truxilline is C38H46N2O8.
What is the molecular weight of omega-Truxilline?
The molecular weight of omega-Truxilline is 658.33 g/mol.
Where can I buy omega-Truxilline?
You can request a quote for omega-Truxilline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for omega-Truxilline?
Yes, KEHONG BIO provides custom synthesis services for omega-Truxilline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.