(1-羟基-3-甲基丁基)膦酸
TL;DR: (1-羟基-3-甲基丁基)膦酸 (CAS 119012-04-3) is a chemical compound with molecular formula C5H13O4P and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-羟基-3-甲基丁基)膦酸
(1-hydroxy-3-methylbutyl)phosphonic acid
Also Known As: (1-hydroxy-3-methylbutyl)phosphonic acid, Phosphonic acid, (1-hydroxy-3-methylbutyl)-, 1-hydroxy-3-methylbutanephosphonic acid, (1-hydroxy-3-methyl-butyl)phosphonic Acid
| Molecular Formula | C5H13O4P |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.05515 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 119012-04-3 |
|---|---|
| SMILES | CC(C)CC(O)P(=O)(O)O |
| InChIKey | AIJCQEYSBDDMHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-羟基-3-甲基丁基)膦酸 (CAS 119012-04-3), with molecular formula C5H13O4P and molecular weight 168.06 g/mol. IUPAC: (1-hydroxy-3-methylbutyl)phosphonic acid.
Chemical Property Profile of (1-羟基-3-甲基丁基)膦酸
Property Insights of (1-羟基-3-甲基丁基)膦酸
The XLogP value of -0.4 indicates that (1-羟基-3-甲基丁基)膦酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-羟基-3-甲基丁基)膦酸. Following Lipinski's Rule of Five, (1-羟基-3-甲基丁基)膦酸 has 3 hydrogen bond donor(s) and 4 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-3-甲基丁基)膦酸?
The CAS number of (1-羟基-3-甲基丁基)膦酸 is 119012-04-3.
What is the molecular formula of (1-羟基-3-甲基丁基)膦酸?
The molecular formula of (1-羟基-3-甲基丁基)膦酸 is C5H13O4P.
What is the molecular weight of (1-羟基-3-甲基丁基)膦酸?
The molecular weight of (1-羟基-3-甲基丁基)膦酸 is 168.06 g/mol.
Where can I buy (1-羟基-3-甲基丁基)膦酸?
You can request a quote for (1-羟基-3-甲基丁基)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-3-甲基丁基)膦酸?
Yes, KEHONG BIO provides custom synthesis services for (1-羟基-3-甲基丁基)膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.