4,4'-亚膦酰基双(丁烷-1,3-二羧酸)
TL;DR: 4,4'-亚膦酰基双(丁烷-1,3-二羧酸) (CAS 229472-51-9) is a chemical compound with molecular formula C12H19O10P and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-亚膦酰基双(丁烷-1,3-二羧酸)
2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid
Also Known As: PBDA, PBDA cpd, PBDA, >95% (NMR), liquid, 4,4'-phosphinicobis(butane-1,3-dicarboxylic acid), J1.816.625I
| Molecular Formula | C12H19O10P |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.0716 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 229472-51-9 |
|---|---|
| SMILES | C(CC(=O)O)C(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O |
| InChIKey | SGRJLTOOQLQDRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-亚膦酰基双(丁烷-1,3-二羧酸) (CAS 229472-51-9), with molecular formula C12H19O10P and molecular weight 354.07 g/mol. IUPAC: 2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid.
Chemical Property Profile of 4,4'-亚膦酰基双(丁烷-1,3-二羧酸)
Property Insights of 4,4'-亚膦酰基双(丁烷-1,3-二羧酸)
The XLogP value of -2.3 indicates that 4,4'-亚膦酰基双(丁烷-1,3-二羧酸) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting 4,4'-亚膦酰基双(丁烷-1,3-二羧酸) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) has 5 hydrogen bond donor(s) and 10 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 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
The CAS number of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) is 229472-51-9.
What is the molecular formula of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
The molecular formula of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) is C12H19O10P.
What is the molecular weight of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
The molecular weight of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) is 354.07 g/mol.
Where can I buy 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
You can request a quote for 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.