Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester
TL;DR: Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester (CAS 352-53-4) is a chemical compound with molecular formula C7H16FO2P and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[fluoro(methyl)phosphoryl]oxy-4-methylpentane
Also Known As: 1,3-Dimethylbutyl methylphosphonofluoridoate, 4-Methyl-2-pentyl methylphosphonofluoridate, 4-Methylpentan-2-yl methylphosphonofluoridate, 2-[fluoro(methyl)phosphoryl]oxy-4-methylpentane, P-Methylphosphonofluoridic acid 1,3-dimethylbutyl ester
| Molecular Formula | C7H16FO2P |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.08719 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 352-53-4 |
|---|---|
| SMILES | CC(C)CC(C)OP(=O)(C)F |
| InChIKey | LIGOYZROSKEIPK-UHFFFAOYSA-N |
Product Overview
Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester (CAS 352-53-4), with molecular formula C7H16FO2P and molecular weight 182.09 g/mol. IUPAC: 2-[fluoro(methyl)phosphoryl]oxy-4-methylpentane.
Chemical Property Profile of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester
Property Insights of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester 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 Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester?
The CAS number of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester is 352-53-4.
What is the molecular formula of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester?
The molecular formula of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester is C7H16FO2P.
What is the molecular weight of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester?
The molecular weight of Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester is 182.09 g/mol.
Where can I buy Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester?
You can request a quote for Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonofluoridic acid, P-methyl-, 1,3-dimethylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.