1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane
TL;DR: 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane (CAS 71787-59-2) is a chemical compound with molecular formula C18H24O9P2 and molecular weight 446.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[2-[2-[hydroxy(methyl)phosphoryl]oxyphenoxy]ethoxy]ethoxy]phenoxy]-methylphosphinic acid
Also Known As: DDOP, 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane, [2-[2-[2-[2-[hydroxy(methyl)phosphoryl]oxyphenoxy]ethoxy]ethoxy]phenoxy]-methylphosphinic acid, Phosphonic acid, methyl-, oxybis(2,1-ethanediyloxy-2,1-phenylene) ester, {[Oxybis(ethane-2,1-diyl)oxy]-2,1-phenylene} bis[hydrogen methyl(phosphonate)]
| Molecular Formula | C18H24O9P2 |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 446.08957 |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 71787-59-2 |
|---|---|
| SMILES | CP(=O)(O)OC1=CC=CC=C1OCCOCCOC2=CC=CC=C2OP(=O)(C)O |
| InChIKey | MZXOWHSTNCNYFE-UHFFFAOYSA-N |
Product Overview
1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane (CAS 71787-59-2), with molecular formula C18H24O9P2 and molecular weight 446.09 g/mol. IUPAC: [2-[2-[2-[2-[hydroxy(methyl)phosphoryl]oxyphenoxy]ethoxy]ethoxy]phenoxy]-methylphosphinic acid.
Chemical Property Profile of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane
Property Insights of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane. Following Lipinski's Rule of Five, 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane has 2 hydrogen bond donor(s) and 9 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 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane?
The CAS number of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane is 71787-59-2.
What is the molecular formula of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane?
The molecular formula of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane is C18H24O9P2.
What is the molecular weight of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane?
The molecular weight of 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane is 446.09 g/mol.
Where can I buy 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane?
You can request a quote for 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.