2,3-Butadienoic acid, 2-(phosphonooxy)-
TL;DR: 2,3-Butadienoic acid, 2-(phosphonooxy)- (CAS 112683-55-3) is a chemical compound with molecular formula C4H5O6P and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phosphonooxybuta-2,3-dienoic acid
Also Known As: 2-phosphonooxybuta-2,3-dienoic Acid, 2,3-Butadienoic acid, 2-(phosphonooxy)-, 2-(PHOSPHONOOXY)BUTA-2,3-DIENOIC ACID
| Molecular Formula | C4H5O6P |
|---|---|
| Molecular Weight | 179.98 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.98238 |
| Heavy Atoms | 11 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 112683-55-3 |
|---|---|
| SMILES | C=C=C(C(=O)O)OP(=O)(O)O |
| InChIKey | DSPQENWNMZJKBA-UHFFFAOYSA-N |
Product Overview
2,3-Butadienoic acid, 2-(phosphonooxy)- (CAS 112683-55-3), with molecular formula C4H5O6P and molecular weight 179.98 g/mol. IUPAC: 2-phosphonooxybuta-2,3-dienoic acid.
Chemical Property Profile of 2,3-Butadienoic acid, 2-(phosphonooxy)-
Property Insights of 2,3-Butadienoic acid, 2-(phosphonooxy)-
The XLogP value of -1.5 indicates that 2,3-Butadienoic acid, 2-(phosphonooxy)- 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 2,3-Butadienoic acid, 2-(phosphonooxy)-. Following Lipinski's Rule of Five, 2,3-Butadienoic acid, 2-(phosphonooxy)- 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 2,3-Butadienoic acid, 2-(phosphonooxy)-?
The CAS number of 2,3-Butadienoic acid, 2-(phosphonooxy)- is 112683-55-3.
What is the molecular formula of 2,3-Butadienoic acid, 2-(phosphonooxy)-?
The molecular formula of 2,3-Butadienoic acid, 2-(phosphonooxy)- is C4H5O6P.
What is the molecular weight of 2,3-Butadienoic acid, 2-(phosphonooxy)-?
The molecular weight of 2,3-Butadienoic acid, 2-(phosphonooxy)- is 179.98 g/mol.
Where can I buy 2,3-Butadienoic acid, 2-(phosphonooxy)-?
You can request a quote for 2,3-Butadienoic acid, 2-(phosphonooxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Butadienoic acid, 2-(phosphonooxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Butadienoic acid, 2-(phosphonooxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.