beta-Alanine, 3-phosphono-
TL;DR: beta-Alanine, 3-phosphono- (CAS 5652-40-4) is a chemical compound with molecular formula C3H8NO5P and molecular weight 169.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-phosphonopropanoic acid
Also Known As: .beta.-Alanine, 3-phosphono-, 3-amino-3-phosphonopropanoic acid, beta-Alanine, 3-phosphono-, 3-amino-3-phosphonopropionic acid, Propanoic acid, 3-amino-3-phosphono-
| Molecular Formula | C3H8NO5P |
|---|---|
| Molecular Weight | 169.01 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.014 |
| Heavy Atoms | 10 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 5652-40-4 |
|---|---|
| SMILES | C(C(N)P(=O)(O)O)C(=O)O |
| InChIKey | PYNYIIAOBBMFDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, 3-phosphono- (CAS 5652-40-4), with molecular formula C3H8NO5P and molecular weight 169.01 g/mol. IUPAC: 3-amino-3-phosphonopropanoic acid.
Chemical Property Profile of beta-Alanine, 3-phosphono-
Property Insights of beta-Alanine, 3-phosphono-
The XLogP value of -5.2 indicates that beta-Alanine, 3-phosphono- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, 3-phosphono-. Following Lipinski's Rule of Five, beta-Alanine, 3-phosphono- 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 beta-Alanine, 3-phosphono-?
The CAS number of beta-Alanine, 3-phosphono- is 5652-40-4.
What is the molecular formula of beta-Alanine, 3-phosphono-?
The molecular formula of beta-Alanine, 3-phosphono- is C3H8NO5P.
What is the molecular weight of beta-Alanine, 3-phosphono-?
The molecular weight of beta-Alanine, 3-phosphono- is 169.01 g/mol.
Where can I buy beta-Alanine, 3-phosphono-?
You can request a quote for beta-Alanine, 3-phosphono- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, 3-phosphono-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, 3-phosphono- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.