(1-羟基亚丁基)二膦酸
TL;DR: (1-羟基亚丁基)二膦酸 (CAS 16856-53-4) is a chemical compound with molecular formula C4H12O7P2 and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-羟基亚丁基)二膦酸
(1-hydroxy-1-phosphonobutyl)phosphonic acid
Also Known As: Phosphonic acid, (1-hydroxybutylidene)di-, 1-Hydroxybutylidenebisphosphonic acid, (1-Hydroxybutylidene)bisphosphonic acid, (1-hydroxy-1-phosphonobutyl)phosphonic acid, 1-hydroxybutane-1,1-diyldiphosphonic acid
| Molecular Formula | C4H12O7P2 |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.00583 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 16856-53-4 |
|---|---|
| SMILES | CCCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChIKey | RUPZRJCPTQGQRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-羟基亚丁基)二膦酸 (CAS 16856-53-4), with molecular formula C4H12O7P2 and molecular weight 234.01 g/mol. IUPAC: (1-hydroxy-1-phosphonobutyl)phosphonic acid.
Chemical Property Profile of (1-羟基亚丁基)二膦酸
Property Insights of (1-羟基亚丁基)二膦酸
The XLogP value of -2.8 indicates that (1-羟基亚丁基)二膦酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-羟基亚丁基)二膦酸. Following Lipinski's Rule of Five, (1-羟基亚丁基)二膦酸 has 5 hydrogen bond donor(s) and 7 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-羟基亚丁基)二膦酸?
The CAS number of (1-羟基亚丁基)二膦酸 is 16856-53-4.
What is the molecular formula of (1-羟基亚丁基)二膦酸?
The molecular formula of (1-羟基亚丁基)二膦酸 is C4H12O7P2.
What is the molecular weight of (1-羟基亚丁基)二膦酸?
The molecular weight of (1-羟基亚丁基)二膦酸 is 234.01 g/mol.
Where can I buy (1-羟基亚丁基)二膦酸?
You can request a quote for (1-羟基亚丁基)二膦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-羟基亚丁基)二膦酸?
Yes, KEHONG BIO provides custom synthesis services for (1-羟基亚丁基)二膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.