Methyl pentyl methylphosphonate
TL;DR: Methyl pentyl methylphosphonate (CAS 170087-97-5) is a chemical compound with molecular formula C7H17O3P and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methoxy(methyl)phosphoryl]oxypentane
Also Known As: Methyl pentyl methylphosphonate, 1-[methoxy(methyl)phosphoryl]oxypentane, Methylphosphonic acid pentyl(methyl) ester, J2.252.760F, Phosphonic acid,methyl-, methyl pentyl ester (9CI)
| Molecular Formula | C7H17O3P |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.09154 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 170087-97-5 |
|---|---|
| SMILES | CCCCCOP(=O)(C)OC |
| InChIKey | BFVHKYLTFOSXEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pentyl methylphosphonate (CAS 170087-97-5), with molecular formula C7H17O3P and molecular weight 180.09 g/mol. IUPAC: 1-[methoxy(methyl)phosphoryl]oxypentane.
Chemical Property Profile of Methyl pentyl methylphosphonate
Property Insights of Methyl pentyl methylphosphonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pentyl methylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl pentyl methylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentyl methylphosphonate 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 Methyl pentyl methylphosphonate?
The CAS number of Methyl pentyl methylphosphonate is 170087-97-5.
What is the molecular formula of Methyl pentyl methylphosphonate?
The molecular formula of Methyl pentyl methylphosphonate is C7H17O3P.
What is the molecular weight of Methyl pentyl methylphosphonate?
The molecular weight of Methyl pentyl methylphosphonate is 180.09 g/mol.
Where can I buy Methyl pentyl methylphosphonate?
You can request a quote for Methyl pentyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.