3-Heptynoic acid
TL;DR: 3-Heptynoic acid (CAS 59862-93-0) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-3-ynoic acid
Also Known As: 3-Heptynoic acid, hept-3-ynoic acid, 3-HeptynoicAcid, Hept-3-insaeure, RefChem:94022
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.2646 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 138.73048 |
Chemical Identifiers
| CAS Number | 59862-93-0 |
|---|---|
| SMILES | CCCC#CCC(=O)O |
Product Overview
3-Heptynoic acid (CAS 59862-93-0), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: hept-3-ynoic acid.
Chemical Property Profile of 3-Heptynoic acid
Property Insights of 3-Heptynoic acid
The XLogP value of 1.2646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptynoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Heptynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptynoic acid has 1 hydrogen bond donor(s) and 1 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-Heptynoic acid?
The CAS number of 3-Heptynoic acid is 59862-93-0.
What is the molecular formula of 3-Heptynoic acid?
The molecular formula of 3-Heptynoic acid is C7H10O2.
What is the molecular weight of 3-Heptynoic acid?
The molecular weight of 3-Heptynoic acid is 126.07 g/mol.
Where can I buy 3-Heptynoic acid?
You can request a quote for 3-Heptynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.