RefChem:437374
TL;DR: RefChem:437374 (CAS 68938-93-2) is a chemical compound with molecular formula C52H72O6P2 and molecular weight 854.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-ditert-butyl-11-[6-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]hexoxy]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
Also Known As: 1,6-Bis(4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-12H-dibenzo(d,g)(1,3,2)dioxaphosphocin-6-yloxy)hexane, 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 6,6'-[1,6-hexanediylbis(oxy)]bis[4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-, 12H-Dibenzo(d,g)(1,3,2)dioxaphosphocin, 6,6'-(1,6-hexanediylbis(oxy))bis(4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-, 1,9-ditert-butyl-11-[6-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]hexoxy]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine, 6,6 -[1,6-Hexanediylbis(oxy)]bis[4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin]
| Molecular Formula | C52H72O6P2 |
|---|---|
| Molecular Weight | 854.48 g/mol |
| LogP | 16.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 854.4804 |
| Heavy Atoms | 60 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 68938-93-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C(C2)C=C(C=C3C(C)(C)C)C)OCCCCCCOP4OC5=C(CC6=C(O4)C(=CC(=C6)C)C(C)(C)C)C=C(C=C5C(C)(C)C)C |
| InChIKey | QRPDXMITMRPZTK-UHFFFAOYSA-N |
Product Overview
RefChem:437374 (CAS 68938-93-2), with molecular formula C52H72O6P2 and molecular weight 854.48 g/mol. IUPAC: 1,9-ditert-butyl-11-[6-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]hexoxy]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine.
Chemical Property Profile of RefChem:437374
Property Insights of RefChem:437374
The XLogP value of 16.8 indicates that RefChem:437374 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:437374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:437374 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:437374?
The CAS number of RefChem:437374 is 68938-93-2.
What is the molecular formula of RefChem:437374?
The molecular formula of RefChem:437374 is C52H72O6P2.
What is the molecular weight of RefChem:437374?
The molecular weight of RefChem:437374 is 854.48 g/mol.
Where can I buy RefChem:437374?
You can request a quote for RefChem:437374 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:437374?
Yes, KEHONG BIO provides custom synthesis services for RefChem:437374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.