Pent-2-ynal
TL;DR: Pent-2-ynal (CAS 55136-52-2) is a chemical compound with molecular formula C5H6O and molecular weight 82.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-2-ynal
Also Known As: Pent-2-ynal, 2-Pentynal, pentalyn, 2-Pentyne-1-al, pent-2-yn-1-al
| Molecular Formula | C5H6O |
|---|---|
| Molecular Weight | 82.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 82.04186 |
| Heavy Atoms | 6 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 55136-52-2 |
|---|---|
| SMILES | CCC#CC=O |
| InChIKey | VLTOSDJJTWPWLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pent-2-ynal (CAS 55136-52-2), with molecular formula C5H6O and molecular weight 82.04 g/mol. IUPAC: pent-2-ynal.
Chemical Property Profile of Pent-2-ynal
Property Insights of Pent-2-ynal
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-2-ynal. With a topological polar surface area (TPSA) of 17.1 Ų, Pent-2-ynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-2-ynal has 0 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 Pent-2-ynal?
The CAS number of Pent-2-ynal is 55136-52-2.
What is the molecular formula of Pent-2-ynal?
The molecular formula of Pent-2-ynal is C5H6O.
What is the molecular weight of Pent-2-ynal?
The molecular weight of Pent-2-ynal is 82.04 g/mol.
Where can I buy Pent-2-ynal?
You can request a quote for Pent-2-ynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pent-2-ynal?
Yes, KEHONG BIO provides custom synthesis services for Pent-2-ynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.