β-氨基丁酸
TL;DR: β-氨基丁酸 (CAS 541-48-0) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-氨基丁酸
3-aminobutanoic acid
Also Known As: 3-Aminobutanoic acid, 3-Aminobutyric acid, DL-3-Aminobutyric acid, beta-Aminobutyric acid, Butanoic acid, 3-amino-
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| Melting Point | 193.0 °C |
| Solubility | 1000 mg/mL at 25 °C |
Chemical Identifiers
| CAS Number | 541-48-0 |
|---|---|
| SMILES | CC(CC(=O)O)N |
| InChIKey | OQEBBZSWEGYTPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-氨基丁酸 (CAS 541-48-0), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: 3-aminobutanoic acid.
Chemical Property Profile of β-氨基丁酸
Property Insights of β-氨基丁酸
The XLogP value of -3.1 indicates that β-氨基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for β-氨基丁酸. Following Lipinski's Rule of Five, β-氨基丁酸 has 2 hydrogen bond donor(s) and 3 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 β-氨基丁酸?
The CAS number of β-氨基丁酸 is 541-48-0.
What is the molecular formula of β-氨基丁酸?
The molecular formula of β-氨基丁酸 is C4H9NO2.
What is the molecular weight of β-氨基丁酸?
The molecular weight of β-氨基丁酸 is 103.06 g/mol.
Where can I buy β-氨基丁酸?
You can request a quote for β-氨基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-氨基丁酸?
Yes, KEHONG BIO provides custom synthesis services for β-氨基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.