13-Cinnamoyloxylupanine
TL;DR: 13-Cinnamoyloxylupanine (CAS 5835-04-1) is a chemical compound with molecular formula C24H30N2O3 and molecular weight 394.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3-phenylprop-2-enoate
Also Known As: 13-Cinnamoyloxylupanine, trans-13-Cinnamoyloxylupanine
| Molecular Formula | C24H30N2O3 |
|---|---|
| Molecular Weight | 394.23 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.22565 |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 5835-04-1 |
|---|---|
| SMILES | C1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)OC(=O)C=CC5=CC=CC=C5 |
| InChIKey | PUFYZCKVLOYPHL-KGWSWXIGSA-N |
Product Overview
13-Cinnamoyloxylupanine (CAS 5835-04-1), with molecular formula C24H30N2O3 and molecular weight 394.23 g/mol. IUPAC: [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3-phenylprop-2-enoate.
Chemical Property Profile of 13-Cinnamoyloxylupanine
Property Insights of 13-Cinnamoyloxylupanine
The XLogP value of 3.3 indicates that 13-Cinnamoyloxylupanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 13-Cinnamoyloxylupanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Cinnamoyloxylupanine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-Cinnamoyloxylupanine?
The CAS number of 13-Cinnamoyloxylupanine is 5835-04-1.
What is the molecular formula of 13-Cinnamoyloxylupanine?
The molecular formula of 13-Cinnamoyloxylupanine is C24H30N2O3.
What is the molecular weight of 13-Cinnamoyloxylupanine?
The molecular weight of 13-Cinnamoyloxylupanine is 394.23 g/mol.
Where can I buy 13-Cinnamoyloxylupanine?
You can request a quote for 13-Cinnamoyloxylupanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Cinnamoyloxylupanine?
Yes, KEHONG BIO provides custom synthesis services for 13-Cinnamoyloxylupanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.