Zodioxaborocine
TL;DR: Zodioxaborocine (CAS 308289-94-3) is a chemical compound with molecular formula C56H76B4O12 and molecular weight 984.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9,15,21-tetrakis(2-methylpropoxy)-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3,9,15,21-tetraboranonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene
Also Known As: zodioxaborocine, onta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene, 3,9,15,21-tetrakis(2-methylpropoxy)-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3,9,15,21-tetraboranonacyclo[21.15.1.1^{24,38}.0^{5,36}.0^{7,34}.0^{11,32}.0^{13,30}.0^{17,28}.0^{19,26}]tetrac, 5,9,13,17-tetrakis(2-methylpropoxy)-1,21,23,25-tetrapropyl-1H,21H,23H,25H-19,3:20,2-di(metheno)[1,3,2]benzodioxaborocino[9',8':4,5][1,3,2]benzodioxaborocino[9,8-d][1,3,2]dioxaborocino[5,4-i][1,3,2]ben
| Molecular Formula | C56H76B4O12 |
|---|---|
| Molecular Weight | 984.57 g/mol |
| LogP | 13.4428 |
| Topological Polar Surface Area | 110.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Exact Mass | 984.5709 |
| Heavy Atoms | 72 |
| Complexity | 2059.39 |
Chemical Identifiers
| CAS Number | 308289-94-3 |
|---|---|
| SMILES | B1(OC2=CC3=C4C=C2C(C5=CC6=C(C=C5O1)OB(OC7=CC8=C(C=C7C6CCC)C(C9=C(C=C(C(=C9)C4CCC)OB(O3)OCC(C)C)OB(O8)OCC(C)C)CCC)OCC(C)C)CCC)OCC(C)C |
Product Overview
Zodioxaborocine (CAS 308289-94-3), with molecular formula C56H76B4O12 and molecular weight 984.57 g/mol. IUPAC: 3,9,15,21-tetrakis(2-methylpropoxy)-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3,9,15,21-tetraboranonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene.
Chemical Property Profile of Zodioxaborocine
Property Insights of Zodioxaborocine
The XLogP value of 13.4428 indicates that Zodioxaborocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Zodioxaborocine. Following Lipinski's Rule of Five, Zodioxaborocine has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zodioxaborocine?
The CAS number of Zodioxaborocine is 308289-94-3.
What is the molecular formula of Zodioxaborocine?
The molecular formula of Zodioxaborocine is C56H76B4O12.
What is the molecular weight of Zodioxaborocine?
The molecular weight of Zodioxaborocine is 984.57 g/mol.
Where can I buy Zodioxaborocine?
You can request a quote for Zodioxaborocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zodioxaborocine?
Yes, KEHONG BIO provides custom synthesis services for Zodioxaborocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.