4-氨基-5-己炔酸
TL;DR: 4-氨基-5-己炔酸 (CAS 57659-38-8) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-5-己炔酸
4-aminohex-5-ynoic acid
Also Known As: gamma-Acetylenic gaba, 4-Aminohex-5-ynoic acid, 4-Amino-5-hexynoic acid, gamma-Acetylinic GABA, 4-aminohexynoate
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 57659-38-8 |
|---|---|
| SMILES | C#CC(CCC(=O)O)N |
| InChIKey | BJNIHWSOVCDBHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基-5-己炔酸 (CAS 57659-38-8), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 4-aminohex-5-ynoic acid.
Chemical Property Profile of 4-氨基-5-己炔酸
Property Insights of 4-氨基-5-己炔酸
The XLogP value of -3.0 indicates that 4-氨基-5-己炔酸 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-5-己炔酸. Following Lipinski's Rule of Five, 4-氨基-5-己炔酸 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-5-己炔酸?
The CAS number of 4-氨基-5-己炔酸 is 57659-38-8.
What is the molecular formula of 4-氨基-5-己炔酸?
The molecular formula of 4-氨基-5-己炔酸 is C6H9NO2.
What is the molecular weight of 4-氨基-5-己炔酸?
The molecular weight of 4-氨基-5-己炔酸 is 127.06 g/mol.
Where can I buy 4-氨基-5-己炔酸?
You can request a quote for 4-氨基-5-己炔酸 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-5-己炔酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-5-己炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.