2-Phosphonobutyric acid
TL;DR: 2-Phosphonobutyric acid (CAS 4378-40-9) is a chemical compound with molecular formula C4H9O5P and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phosphonobutanoic acid
Also Known As: 2-phosphonobutanoic Acid, 2-PHOSPHONOBUTYRIC ACID, phosphonobutyric acid, Butanoic acid, 2-phosphono-, I14-101254
| Molecular Formula | C4H9O5P |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 0.0273 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.01875 |
| Heavy Atoms | 10 |
| Complexity | 170.48677 |
Chemical Identifiers
| CAS Number | 4378-40-9 |
|---|---|
| SMILES | CCC(C(=O)O)P(=O)(O)O |
Product Overview
2-Phosphonobutyric acid (CAS 4378-40-9), with molecular formula C4H9O5P and molecular weight 168.02 g/mol. IUPAC: 2-phosphonobutanoic acid.
Chemical Property Profile of 2-Phosphonobutyric acid
Property Insights of 2-Phosphonobutyric acid
The XLogP value of 0.0273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phosphonobutyric acid. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phosphonobutyric acid. Following Lipinski's Rule of Five, 2-Phosphonobutyric acid has 3 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 2-Phosphonobutyric acid?
The CAS number of 2-Phosphonobutyric acid is 4378-40-9.
What is the molecular formula of 2-Phosphonobutyric acid?
The molecular formula of 2-Phosphonobutyric acid is C4H9O5P.
What is the molecular weight of 2-Phosphonobutyric acid?
The molecular weight of 2-Phosphonobutyric acid is 168.02 g/mol.
Where can I buy 2-Phosphonobutyric acid?
You can request a quote for 2-Phosphonobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phosphonobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phosphonobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.