4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)
TL;DR: 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) (CAS 229472-51-9) is a chemical compound with molecular formula C12H19O10P and molecular weight 354.0716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H19O10P |
| Molecular Weight | 354.0716 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.0716 Da |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
| SMILES | C(CC(=O)O)C(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O |
| InChIKey | SGRJLTOOQLQDRH-UHFFFAOYSA-N |
Product Description
Applications: 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) (CAS 229472-51-9) has the molecular formula C12H19O10P and a molecular weight of 354.07 g/mol. Synonyms include PBDA and PBDA cpd.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)
Property Insights of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)
The XLogP value of -2.3 indicates that 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) 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'-Phosphinicobis(butane-1,3-dicarboxylic acid) 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
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 354.0716 g/mol.
What are the applications of 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid) is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem...
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Phosphinicobis(butane-1,3-dicarboxylic acid)?
Yes, CoreyChem 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.