3-脲基丙酸
TL;DR: 3-脲基丙酸 (CAS 462-88-4) is a chemical compound with molecular formula C4H8N2O3 and molecular weight 132.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-脲基丙酸
3-(carbamoylamino)propanoic acid
Also Known As: 3-Ureidopropionic acid, ureidopropionic acid, N-Carbamoyl-beta-alanine, 3-ureidopropionate, 3-(carbamoylamino)propanoic acid
| Molecular Formula | C4H8N2O3 |
|---|---|
| Molecular Weight | 132.05 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.0535 |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
| Melting Point | 170 °C |
| Solubility | 20.9 mg/mL |
Chemical Identifiers
| CAS Number | 462-88-4 |
|---|---|
| SMILES | C(CNC(=O)N)C(=O)O |
| InChIKey | JSJWCHRYRHKBBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-脲基丙酸 (CAS 462-88-4), with molecular formula C4H8N2O3 and molecular weight 132.05 g/mol. IUPAC: 3-(carbamoylamino)propanoic acid.
Chemical Property Profile of 3-脲基丙酸
Property Insights of 3-脲基丙酸
The XLogP value of -1.5 indicates that 3-脲基丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-脲基丙酸. Following Lipinski's Rule of Five, 3-脲基丙酸 has 3 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 3-脲基丙酸?
The CAS number of 3-脲基丙酸 is 462-88-4.
What is the molecular formula of 3-脲基丙酸?
The molecular formula of 3-脲基丙酸 is C4H8N2O3.
What is the molecular weight of 3-脲基丙酸?
The molecular weight of 3-脲基丙酸 is 132.05 g/mol.
Where can I buy 3-脲基丙酸?
You can request a quote for 3-脲基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-脲基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-脲基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.