2-丁炔酸
TL;DR: 2-丁炔酸 (CAS 590-93-2) is a chemical compound with molecular formula C4H4O2 and molecular weight 84.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁炔酸
but-2-ynoic acid
Also Known As: 2-Butynoic acid, Tetrolic acid, but-2-ynoic acid, 2-butynoicacid, butynoic acid
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.021126 |
| Heavy Atoms | 6 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 590-93-2 |
|---|---|
| SMILES | CC#CC(=O)O |
| InChIKey | LUEHNHVFDCZTGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁炔酸 (CAS 590-93-2), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: but-2-ynoic acid.
Chemical Property Profile of 2-丁炔酸
Property Insights of 2-丁炔酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-丁炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁炔酸 has 1 hydrogen bond donor(s) and 2 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 2-丁炔酸?
The CAS number of 2-丁炔酸 is 590-93-2.
What is the molecular formula of 2-丁炔酸?
The molecular formula of 2-丁炔酸 is C4H4O2.
What is the molecular weight of 2-丁炔酸?
The molecular weight of 2-丁炔酸 is 84.02 g/mol.
Where can I buy 2-丁炔酸?
You can request a quote for 2-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 2-丁炔酸?
Yes, KEHONG BIO provides custom synthesis services for 2-丁炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.