Capparidisine
TL;DR: Capparidisine (CAS 100414-82-2) is a chemical compound with molecular formula C27H33N3O6 and molecular weight 495.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E,22E)-4-hydroxy-25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione
Also Known As: Capparidisine, Capparadisine, (8E,22E)-4-Hydroxy-27,28-dimethoxy-2-oxa-11,15,20-triaza-tricyclo[22.2.2.13,7]nonacosa-1(27),3,5,7(29),8,22,24(28),25-octaene-10,21-dione
| Molecular Formula | C27H33N3O6 |
|---|---|
| Molecular Weight | 495.24 g/mol |
| LogP | 3.234 |
| Topological Polar Surface Area | 118.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 495.23694 |
| Heavy Atoms | 36 |
| Complexity | 1112.9281 |
Chemical Identifiers
| CAS Number | 100414-82-2 |
|---|---|
| SMILES | COC1=C\2C=CC(=C1OC)OC3=C(C=CC(=C3)/C=C/C(=O)NCCCNCCCCNC(=O)/C=C2)O |
Product Overview
Capparidisine (CAS 100414-82-2), with molecular formula C27H33N3O6 and molecular weight 495.24 g/mol. IUPAC: (8E,22E)-4-hydroxy-25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione.
Chemical Property Profile of Capparidisine
Property Insights of Capparidisine
The XLogP value of 3.234 indicates that Capparidisine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Capparidisine. Following Lipinski's Rule of Five, Capparidisine has 4 hydrogen bond donor(s) and 7 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 Capparidisine?
The CAS number of Capparidisine is 100414-82-2.
What is the molecular formula of Capparidisine?
The molecular formula of Capparidisine is C27H33N3O6.
What is the molecular weight of Capparidisine?
The molecular weight of Capparidisine is 495.24 g/mol.
Where can I buy Capparidisine?
You can request a quote for Capparidisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Capparidisine?
Yes, KEHONG BIO provides custom synthesis services for Capparidisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.