Butyl (iodomethyl) phosphinate
TL;DR: Butyl (iodomethyl) phosphinate (CAS 17052-18-5) is a chemical compound with molecular formula C6H13I2O2P and molecular weight 401.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(iodomethyl)phosphoryloxy]butane
Also Known As: BUTYL (IODOMETHYL) PHOSPHINATE, butyl bis(iodomethyl)phosphinate, 1-[bis(iodomethyl)phosphoryloxy]butane, Bis(iodomethyl)phosphinic acid butyl ester, J1.564.994A
| Molecular Formula | C6H13I2O2P |
|---|---|
| Molecular Weight | 401.87 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.87427 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 17052-18-5 |
|---|---|
| SMILES | CCCCOP(=O)(CI)CI |
| InChIKey | HXOBUOUXJQPKBR-UHFFFAOYSA-N |
Product Overview
Butyl (iodomethyl) phosphinate (CAS 17052-18-5), with molecular formula C6H13I2O2P and molecular weight 401.87 g/mol. IUPAC: 1-[bis(iodomethyl)phosphoryloxy]butane.
Chemical Property Profile of Butyl (iodomethyl) phosphinate
Property Insights of Butyl (iodomethyl) phosphinate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (iodomethyl) phosphinate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl (iodomethyl) phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (iodomethyl) phosphinate has 0 hydrogen bond donor(s) and 2 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 Butyl (iodomethyl) phosphinate?
The CAS number of Butyl (iodomethyl) phosphinate is 17052-18-5.
What is the molecular formula of Butyl (iodomethyl) phosphinate?
The molecular formula of Butyl (iodomethyl) phosphinate is C6H13I2O2P.
What is the molecular weight of Butyl (iodomethyl) phosphinate?
The molecular weight of Butyl (iodomethyl) phosphinate is 401.87 g/mol.
Where can I buy Butyl (iodomethyl) phosphinate?
You can request a quote for Butyl (iodomethyl) phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (iodomethyl) phosphinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (iodomethyl) phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.