Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester
TL;DR: Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester (CAS 30593-65-8) is a chemical compound with molecular formula C8H18FO2P and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylpentane
Also Known As: 1,3,3-Trimethylbutyl methylphosphonofluoridoate, 4,4-Dimethyl-2-pentyl methylphosphonofluoridate, 4-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylpentane, Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester, 1,3,3-Trimethylbutyl methylphosphonofluoridoate #
| Molecular Formula | C8H18FO2P |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10284 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 30593-65-8 |
|---|---|
| SMILES | CC(CC(C)(C)C)OP(=O)(C)F |
| InChIKey | NEZQQHCTUHFADD-UHFFFAOYSA-N |
Product Overview
Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester (CAS 30593-65-8), with molecular formula C8H18FO2P and molecular weight 196.10 g/mol. IUPAC: 4-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylpentane.
Chemical Property Profile of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester
Property Insights of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl 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, methyl-, 1,3,3-trimethylbutyl ester?
The CAS number of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester is 30593-65-8.
What is the molecular formula of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester?
The molecular formula of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester is C8H18FO2P.
What is the molecular weight of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester?
The molecular weight of Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester is 196.10 g/mol.
Where can I buy Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester?
You can request a quote for Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl 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, methyl-, 1,3,3-trimethylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonofluoridic acid, methyl-, 1,3,3-trimethylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.