2-Phospho-3-butenoic acid
TL;DR: 2-Phospho-3-butenoic acid (CAS 63555-63-5) is a chemical compound with molecular formula C4H7O6P and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phosphonooxybut-3-enoic acid
Also Known As: 2-Phospho-3-butenoic acid, 2-(phosphonooxy)but-3-enoic acid, 2-phosphonooxybut-3-enoic acid, 3-Butenoic acid, 2-(phosphonooxy)-, (+-)-, RefChem:89115
| Molecular Formula | C4H7O6P |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.99803 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 63555-63-5 |
|---|---|
| SMILES | C=CC(C(=O)O)OP(=O)(O)O |
| InChIKey | BNYHQJPPDQTYOP-UHFFFAOYSA-N |
Product Overview
2-Phospho-3-butenoic acid (CAS 63555-63-5), with molecular formula C4H7O6P and molecular weight 182.00 g/mol. IUPAC: 2-phosphonooxybut-3-enoic acid.
Chemical Property Profile of 2-Phospho-3-butenoic acid
Property Insights of 2-Phospho-3-butenoic acid
The XLogP value of -1.1 indicates that 2-Phospho-3-butenoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phospho-3-butenoic acid. Following Lipinski's Rule of Five, 2-Phospho-3-butenoic acid has 3 hydrogen bond donor(s) and 6 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-Phospho-3-butenoic acid?
The CAS number of 2-Phospho-3-butenoic acid is 63555-63-5.
What is the molecular formula of 2-Phospho-3-butenoic acid?
The molecular formula of 2-Phospho-3-butenoic acid is C4H7O6P.
What is the molecular weight of 2-Phospho-3-butenoic acid?
The molecular weight of 2-Phospho-3-butenoic acid is 182.00 g/mol.
Where can I buy 2-Phospho-3-butenoic acid?
You can request a quote for 2-Phospho-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phospho-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phospho-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.