1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
TL;DR: 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine (CAS 34573-99-4) is a chemical compound with molecular formula C29H35O3P and molecular weight 462.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
Also Known As: Stafor 11, J1.024.857D, 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine, 4,8-di-tert-butyl-2,10-dimethyl-6-phenoxy-12H-dibenzo[d,g][1,3,2]dioxaphosphocine, 2,10-Dimethyl-4,8-bis(tert-butyl)-6-(phenoxy)-12H-dibenzo[d,g][1,3,2]dioxaphosphocin
| Molecular Formula | C29H35O3P |
|---|---|
| Molecular Weight | 462.23 g/mol |
| LogP | 8.56634 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.2324 |
| Heavy Atoms | 33 |
| Complexity | 1082.7101 |
Chemical Identifiers
| CAS Number | 34573-99-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C(C2)C=C(C=C3C(C)(C)C)C)OC4=CC=CC=C4 |
Product Overview
1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine (CAS 34573-99-4), with molecular formula C29H35O3P and molecular weight 462.23 g/mol. IUPAC: 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine.
Chemical Property Profile of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
Property Insights of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
The XLogP value of 8.56634 indicates that 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The CAS number of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine is 34573-99-4.
What is the molecular formula of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The molecular formula of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine is C29H35O3P.
What is the molecular weight of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The molecular weight of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine is 462.23 g/mol.
Where can I buy 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine?
You can request a quote for 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine?
Yes, KEHONG BIO provides custom synthesis services for 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.