4-氨基丁炔酸
TL;DR: 4-氨基丁炔酸 (CAS 38662-19-0) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基丁炔酸
4-aminobut-2-ynoic acid
Also Known As: 4-Aminobut-2-ynoic acid, 4-Aminotetrolic acid, 4-Amino-but-2-ynoic acid, Tetrolic acid, amino-, 4-Aminobut-2-ynoicacid
| Molecular Formula | C4H5NO2 |
|---|---|
| Molecular Weight | 99.03 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.03203 |
| Heavy Atoms | 7 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 38662-19-0 |
|---|---|
| SMILES | C(C#CC(=O)O)N |
| InChIKey | JAGBKMXGOMEWNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基丁炔酸 (CAS 38662-19-0), with molecular formula C4H5NO2 and molecular weight 99.03 g/mol. IUPAC: 4-aminobut-2-ynoic acid.
Chemical Property Profile of 4-氨基丁炔酸
Property Insights of 4-氨基丁炔酸
The XLogP value of -3.0 indicates that 4-氨基丁炔酸 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 4-氨基丁炔酸. Following Lipinski's Rule of Five, 4-氨基丁炔酸 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 4-氨基丁炔酸?
The CAS number of 4-氨基丁炔酸 is 38662-19-0.
What is the molecular formula of 4-氨基丁炔酸?
The molecular formula of 4-氨基丁炔酸 is C4H5NO2.
What is the molecular weight of 4-氨基丁炔酸?
The molecular weight of 4-氨基丁炔酸 is 99.03 g/mol.
Where can I buy 4-氨基丁炔酸?
You can request a quote for 4-氨基丁炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基丁炔酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基丁炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.