Cadabicine diacetate
TL;DR: Cadabicine diacetate (CAS 99964-84-8) is a chemical compound with molecular formula C29H33N3O6 and molecular weight 519.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8Z,22E)-16-acetyl-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaen-4-yl] acetate
Also Known As: Cadabicine diacetate, N,O-Diacetylcadabicine, N-Acetylcadabicine acetate, 2-Oxa-11,16,20-triazatricyclo(22.2.2.13,7)nonacosa-3,5,7(29),8,22,24,26,27-octaene-10,21-dione, 16-acetyl-4-(acetyloxy)-, (E,E)-
| Molecular Formula | C29H33N3O6 |
|---|---|
| Molecular Weight | 519.24 g/mol |
| LogP | 3.6954 |
| Topological Polar Surface Area | 114.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 519.23694 |
| Heavy Atoms | 38 |
| Complexity | 1203.2942 |
Chemical Identifiers
| CAS Number | 99964-84-8 |
|---|---|
| SMILES | CC(=O)N1CCCCNC(=O)/C=C\C2=CC(=C(C=C2)OC(=O)C)OC3=CC=C(C=C3)/C=C/C(=O)NCCC1 |
Product Overview
Cadabicine diacetate (CAS 99964-84-8), with molecular formula C29H33N3O6 and molecular weight 519.24 g/mol. IUPAC: [(8Z,22E)-16-acetyl-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaen-4-yl] acetate.
Chemical Property Profile of Cadabicine diacetate
Property Insights of Cadabicine diacetate
The XLogP value of 3.6954 indicates that Cadabicine diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Cadabicine diacetate. Following Lipinski's Rule of Five, Cadabicine diacetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cadabicine diacetate?
The CAS number of Cadabicine diacetate is 99964-84-8.
What is the molecular formula of Cadabicine diacetate?
The molecular formula of Cadabicine diacetate is C29H33N3O6.
What is the molecular weight of Cadabicine diacetate?
The molecular weight of Cadabicine diacetate is 519.24 g/mol.
Where can I buy Cadabicine diacetate?
You can request a quote for Cadabicine diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cadabicine diacetate?
Yes, KEHONG BIO provides custom synthesis services for Cadabicine diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.