RefChem:412291
TL;DR: RefChem:412291 (CAS 72018-03-2) is a chemical compound with molecular formula C36H56O6P2 and molecular weight 646.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-tert-butyl-4-[1-[5-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2-methylphenyl]butyl]-5-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
Also Known As: 1,3,2-Dioxaphosphorinane, 2,2'-[butylidenebis[[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene]oxy]]bis[5,5-dimethyl-, 1,3,2-Dioxaphosphorinane, 2,2'-(butylidenebis((2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene)oxy))bis(5,5-dimethyl-, 2-[2-tert-butyl-4-[1-[5-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2-methylphenyl]butyl]-5-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane, 2,2 -[Butylidenebis[[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene]oxy]]bis(5,5-dimethyl-1,3,2-dioxaphosphorinane), 2,2'-(Butylidenebis((2-(tert-butyl)-5-methyl-p-phenylene)oxy))bis(5,5-dimethyl-1,3,2-dioxaphosphorinane)
| Molecular Formula | C36H56O6P2 |
|---|---|
| Molecular Weight | 646.36 g/mol |
| LogP | 11.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 646.3552 |
| Heavy Atoms | 44 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 72018-03-2 |
|---|---|
| SMILES | CCCC(C1=CC(=C(C=C1C)OP2OCC(CO2)(C)C)C(C)(C)C)C3=CC(=C(C=C3C)OP4OCC(CO4)(C)C)C(C)(C)C |
| InChIKey | YHFPAJFUHALXOH-UHFFFAOYSA-N |
Product Overview
RefChem:412291 (CAS 72018-03-2), with molecular formula C36H56O6P2 and molecular weight 646.36 g/mol. IUPAC: 2-[2-tert-butyl-4-[1-[5-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2-methylphenyl]butyl]-5-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane.
Chemical Property Profile of RefChem:412291
Property Insights of RefChem:412291
The XLogP value of 11.2 indicates that RefChem:412291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, RefChem:412291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:412291 has 0 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 RefChem:412291?
The CAS number of RefChem:412291 is 72018-03-2.
What is the molecular formula of RefChem:412291?
The molecular formula of RefChem:412291 is C36H56O6P2.
What is the molecular weight of RefChem:412291?
The molecular weight of RefChem:412291 is 646.36 g/mol.
Where can I buy RefChem:412291?
You can request a quote for RefChem:412291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:412291?
Yes, KEHONG BIO provides custom synthesis services for RefChem:412291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.