1,4-Butylenediphosphonic Acid
TL;DR: 1,4-Butylenediphosphonic Acid (CAS 4671-77-6) is a chemical compound with molecular formula C4H12O6P2 and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phosphonobutylphosphonic acid
Also Known As: 1,4-butanediphosphonic acid, Butane-1,4-diyldiphosphonic acid, 1,4-BUTANEDIPHOSPHONICACID, 4-phosphonobutylphosphonic acid, 1,4-Diphosphonobutane
| Molecular Formula | C4H12O6P2 |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.01091 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 4671-77-6 |
|---|---|
| SMILES | C(CCP(=O)(O)O)CP(=O)(O)O |
| InChIKey | JKTORXLUQLQJCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Butylenediphosphonic Acid (CAS 4671-77-6), with molecular formula C4H12O6P2 and molecular weight 218.01 g/mol. IUPAC: 4-phosphonobutylphosphonic acid.
Chemical Property Profile of 1,4-Butylenediphosphonic Acid
Property Insights of 1,4-Butylenediphosphonic Acid
The XLogP value of -2.7 indicates that 1,4-Butylenediphosphonic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butylenediphosphonic Acid. Following Lipinski's Rule of Five, 1,4-Butylenediphosphonic Acid has 4 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 1,4-Butylenediphosphonic Acid?
The CAS number of 1,4-Butylenediphosphonic Acid is 4671-77-6.
What is the molecular formula of 1,4-Butylenediphosphonic Acid?
The molecular formula of 1,4-Butylenediphosphonic Acid is C4H12O6P2.
What is the molecular weight of 1,4-Butylenediphosphonic Acid?
The molecular weight of 1,4-Butylenediphosphonic Acid is 218.01 g/mol.
Where can I buy 1,4-Butylenediphosphonic Acid?
You can request a quote for 1,4-Butylenediphosphonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butylenediphosphonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butylenediphosphonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.