Phosphoric acid, butyl ester
TL;DR: Phosphoric acid, butyl ester (CAS 12788-93-1) is a chemical compound with molecular formula C4H13O5P and molecular weight 172.05006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butan-1-ol;phosphoric acid
Also Known As: Butyl acid phosphate, Butyl phosphate, butylacid phosphate, Butyl phosphoric acid, Phoslex A 4
Technical Specifications
| Molecular Formula | C4H13O5P |
| Molecular Weight | 172.05006 g/mol |
| XLogP | -0.1498 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.05006 Da |
| Heavy Atoms | 10 |
| Complexity | 62.0 |
| SMILES | CCCCO.OP(=O)(O)O |
| InChIKey | FJTUUPVRIANHEX-UHFFFAOYSA-N |
Chemical Property Profile of Phosphoric acid, butyl ester
Property Insights of Phosphoric acid, butyl ester
The XLogP value of -0.1498 indicates that Phosphoric acid, butyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, butyl ester. Following Lipinski's Rule of Five, Phosphoric acid, butyl ester has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphoric acid, butyl ester?
The CAS number of Phosphoric acid, butyl ester is 12788-93-1.
What is the molecular formula of Phosphoric acid, butyl ester?
The molecular formula of Phosphoric acid, butyl ester is C4H13O5P.
What is the molecular weight of Phosphoric acid, butyl ester?
The molecular weight of Phosphoric acid, butyl ester is 172.05006 g/mol.
Where can I buy Phosphoric acid, butyl ester?
You can request a quote for Phosphoric acid, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphoric acid, butyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphoric acid, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.