2-辛炔酸
TL;DR: 2-辛炔酸 (CAS 5663-96-7) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-辛炔酸
oct-2-ynoic acid
Also Known As: 2-OCTYNOIC ACID, Oct-2-ynoic acid, 2-Octyn-1-oic acid, m-Pentyl propiolate, Pentylpropiolic acid
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5663-96-7 |
|---|---|
| SMILES | CCCCCC#CC(=O)O |
| InChIKey | BQDKCWCMDBMLEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-辛炔酸 (CAS 5663-96-7), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: oct-2-ynoic acid.
Chemical Property Profile of 2-辛炔酸
Property Insights of 2-辛炔酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-辛炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-辛炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-辛炔酸 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-辛炔酸?
The CAS number of 2-辛炔酸 is 5663-96-7.
What is the molecular formula of 2-辛炔酸?
The molecular formula of 2-辛炔酸 is C8H12O2.
What is the molecular weight of 2-辛炔酸?
The molecular weight of 2-辛炔酸 is 140.08 g/mol.
Where can I buy 2-辛炔酸?
You can request a quote for 2-辛炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛炔酸?
Yes, KEHONG BIO provides custom synthesis services for 2-辛炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.