5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole
TL;DR: 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole (CAS 60485-04-3) is a chemical compound with molecular formula C26H31FNOP and molecular weight 423.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2λ5-benzoxazaphosphole
Also Known As: 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2, 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazap, 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole, 5,7-Di-tert-butyl-2-fluoro-2,2-diphenyl-2,3-dihydro-1,3,2lambda~5~-benzoxazaphosphole
| Molecular Formula | C26H31FNOP |
|---|---|
| Molecular Weight | 423.21 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.21274 |
| Heavy Atoms | 30 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 60485-04-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C1)NP(O2)(C3=CC=CC=C3)(C4=CC=CC=C4)F)C(C)(C)C |
| InChIKey | PWADOCWFYDFHBB-UHFFFAOYSA-N |
Product Overview
5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole (CAS 60485-04-3), with molecular formula C26H31FNOP and molecular weight 423.21 g/mol. IUPAC: 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2λ5-benzoxazaphosphole.
Chemical Property Profile of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole
Property Insights of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole
The XLogP value of 8.8 indicates that 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole has 1 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 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole?
The CAS number of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole is 60485-04-3.
What is the molecular formula of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole?
The molecular formula of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole is C26H31FNOP.
What is the molecular weight of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole?
The molecular weight of 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole is 423.21 g/mol.
Where can I buy 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole?
You can request a quote for 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole?
Yes, KEHONG BIO provides custom synthesis services for 5,7-ditert-butyl-2-fluoro-2,2-diphenyl-3H-1,3,2lambda5-benzoxazaphosphole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.