Pentaerythritol spirobis(methylphosphonate)
TL;DR: Pentaerythritol spirobis(methylphosphonate) (CAS 3001-98-7) is a chemical compound with molecular formula C7H14O6P2 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dimethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
Also Known As: Pentaerythritol spirobis(methylphosphonate), Ethyl-4-acetamido ethoxy benzoate, 3,9-dimethyl-2,4,8,10-tetraoxa-3, 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dimethyl-, 3,9-dioxide, J1.367.082J
| Molecular Formula | C7H14O6P2 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.02655 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 3001-98-7 |
|---|---|
| SMILES | CP1(=O)OCC2(CO1)COP(=O)(OC2)C |
| InChIKey | ACRCGKKNPOZIPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol spirobis(methylphosphonate) (CAS 3001-98-7), with molecular formula C7H14O6P2 and molecular weight 256.03 g/mol. IUPAC: 3,9-dimethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.
Chemical Property Profile of Pentaerythritol spirobis(methylphosphonate)
Property Insights of Pentaerythritol spirobis(methylphosphonate)
The XLogP value of -1.6 indicates that Pentaerythritol spirobis(methylphosphonate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol spirobis(methylphosphonate). Following Lipinski's Rule of Five, Pentaerythritol spirobis(methylphosphonate) has 0 hydrogen bond donor(s) and 6 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 Pentaerythritol spirobis(methylphosphonate)?
The CAS number of Pentaerythritol spirobis(methylphosphonate) is 3001-98-7.
What is the molecular formula of Pentaerythritol spirobis(methylphosphonate)?
The molecular formula of Pentaerythritol spirobis(methylphosphonate) is C7H14O6P2.
What is the molecular weight of Pentaerythritol spirobis(methylphosphonate)?
The molecular weight of Pentaerythritol spirobis(methylphosphonate) is 256.03 g/mol.
Where can I buy Pentaerythritol spirobis(methylphosphonate)?
You can request a quote for Pentaerythritol spirobis(methylphosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol spirobis(methylphosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol spirobis(methylphosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.