Cadabicine
TL;DR: Cadabicine (CAS 99964-83-7) is a chemical compound with molecular formula C25H29N3O4 and molecular weight 435.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8Z,22E)-4-hydroxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione
Also Known As: Cadabicine, (8Z,22E)-4-hydroxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione, 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, 4-hydroxy-, (E,E)-, (8Z,22E)-4-hydroxy-2-oxa-11,16,20-triazatricyclo(22.2.2.13,7)nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione, RefChem:122546
| Molecular Formula | C25H29N3O4 |
|---|---|
| Molecular Weight | 435.22 g/mol |
| LogP | 3.2168 |
| Topological Polar Surface Area | 99.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 435.21582 |
| Heavy Atoms | 32 |
| Complexity | 967.65234 |
Chemical Identifiers
| CAS Number | 99964-83-7 |
|---|---|
| SMILES | C1CCNC(=O)/C=C\C2=CC(=C(C=C2)O)OC3=CC=C(C=C3)/C=C/C(=O)NCCCNC1 |
Product Overview
Cadabicine (CAS 99964-83-7), with molecular formula C25H29N3O4 and molecular weight 435.22 g/mol. IUPAC: (8Z,22E)-4-hydroxy-2-oxa-11,16,20-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 Cadabicine
Property Insights of Cadabicine
The XLogP value of 3.2168 indicates that Cadabicine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Cadabicine. Following Lipinski's Rule of Five, Cadabicine has 4 hydrogen bond donor(s) and 5 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 Cadabicine?
The CAS number of Cadabicine is 99964-83-7.
What is the molecular formula of Cadabicine?
The molecular formula of Cadabicine is C25H29N3O4.
What is the molecular weight of Cadabicine?
The molecular weight of Cadabicine is 435.22 g/mol.
Where can I buy Cadabicine?
You can request a quote for Cadabicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cadabicine?
Yes, KEHONG BIO provides custom synthesis services for Cadabicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.