Isopentenyl methylenediphosphonate
TL;DR: Isopentenyl methylenediphosphonate (CAS 13896-85-0) is a chemical compound with molecular formula C6H14O6P2 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(3-methylbut-3-enoxy)phosphoryl]methylphosphonic acid
Also Known As: IPCP, Isopentenyl methylenediphosphonate, J3.594.797C, ({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}methyl)phosphonic acid, [hydroxy(3-methylbut-3-enoxy)phosphoryl]methylphosphonic acid
| Molecular Formula | C6H14O6P2 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.02657 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 13896-85-0 |
|---|---|
| SMILES | CC(=C)CCOP(=O)(CP(=O)(O)O)O |
| InChIKey | OYYYPYWQLRODNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentenyl methylenediphosphonate (CAS 13896-85-0), with molecular formula C6H14O6P2 and molecular weight 244.03 g/mol. IUPAC: [hydroxy(3-methylbut-3-enoxy)phosphoryl]methylphosphonic acid.
Chemical Property Profile of Isopentenyl methylenediphosphonate
Property Insights of Isopentenyl methylenediphosphonate
The XLogP value of -1.1 indicates that Isopentenyl methylenediphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopentenyl methylenediphosphonate. Following Lipinski's Rule of Five, Isopentenyl methylenediphosphonate has 3 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 Isopentenyl methylenediphosphonate?
The CAS number of Isopentenyl methylenediphosphonate is 13896-85-0.
What is the molecular formula of Isopentenyl methylenediphosphonate?
The molecular formula of Isopentenyl methylenediphosphonate is C6H14O6P2.
What is the molecular weight of Isopentenyl methylenediphosphonate?
The molecular weight of Isopentenyl methylenediphosphonate is 244.03 g/mol.
Where can I buy Isopentenyl methylenediphosphonate?
You can request a quote for Isopentenyl methylenediphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentenyl methylenediphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Isopentenyl methylenediphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.