2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-
TL;DR: 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- (CAS 67590-47-0) is a chemical compound with molecular formula C11H13O3P and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-, 4-benzyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane, 4-(Phenylmethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, 4-benzyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane, BRN 2273967
| Molecular Formula | C11H13O3P |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 2.5194 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06023 |
| Heavy Atoms | 15 |
| Complexity | 319.17166 |
Chemical Identifiers
| CAS Number | 67590-47-0 |
|---|---|
| SMILES | C1C2(COP(O1)OC2)CC3=CC=CC=C3 |
Product Overview
2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- (CAS 67590-47-0), with molecular formula C11H13O3P and molecular weight 224.06 g/mol. IUPAC: 4-benzyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-
Property Insights of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-
The XLogP value of 2.5194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-?
The CAS number of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- is 67590-47-0.
What is the molecular formula of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-?
The molecular formula of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- is C11H13O3P.
What is the molecular weight of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-?
The molecular weight of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- is 224.06 g/mol.
Where can I buy 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-?
You can request a quote for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.