(1,4-Diaminobutyl)phosphonic acid
TL;DR: (1,4-Diaminobutyl)phosphonic acid (CAS 20820-73-9) is a chemical compound with molecular formula C4H13N2O3P and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diaminobutylphosphonic acid
Also Known As: 1,4-diaminobutylphosphonic acid, (1,4-Diaminobutyl)phosphonic acid, 1,4-Diamino-butylphosphonic acid, DL-1,4-Diaminobutylphosphonic acid, Phosphonic acid,4-diaminobutyl)-
| Molecular Formula | C4H13N2O3P |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.06638 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 20820-73-9 |
|---|---|
| SMILES | C(CC(N)P(=O)(O)O)CN |
| InChIKey | OBJPQOZOSRAWEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,4-Diaminobutyl)phosphonic acid (CAS 20820-73-9), with molecular formula C4H13N2O3P and molecular weight 168.07 g/mol. IUPAC: 1,4-diaminobutylphosphonic acid.
Chemical Property Profile of (1,4-Diaminobutyl)phosphonic acid
Property Insights of (1,4-Diaminobutyl)phosphonic acid
The XLogP value of -4.9 indicates that (1,4-Diaminobutyl)phosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,4-Diaminobutyl)phosphonic acid. Following Lipinski's Rule of Five, (1,4-Diaminobutyl)phosphonic acid has 4 hydrogen bond donor(s) and 5 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-Diaminobutyl)phosphonic acid?
The CAS number of (1,4-Diaminobutyl)phosphonic acid is 20820-73-9.
What is the molecular formula of (1,4-Diaminobutyl)phosphonic acid?
The molecular formula of (1,4-Diaminobutyl)phosphonic acid is C4H13N2O3P.
What is the molecular weight of (1,4-Diaminobutyl)phosphonic acid?
The molecular weight of (1,4-Diaminobutyl)phosphonic acid is 168.07 g/mol.
Where can I buy (1,4-Diaminobutyl)phosphonic acid?
You can request a quote for (1,4-Diaminobutyl)phosphonic 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-Diaminobutyl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,4-Diaminobutyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.