Pentanal, 3-oxo-
TL;DR: Pentanal, 3-oxo- (CAS 623-38-1) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxopentanal
Also Known As: 3-oxopentanal, Pentanal, 3-oxo-, 3,5-pentanedione, 1,3 pentadione, 1,3-pentadione
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 623-38-1 |
|---|---|
| SMILES | CCC(=O)CC=O |
| InChIKey | ZNNXJRURXWWGLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanal, 3-oxo- (CAS 623-38-1), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 3-oxopentanal.
Chemical Property Profile of Pentanal, 3-oxo-
Property Insights of Pentanal, 3-oxo-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanal, 3-oxo-. With a topological polar surface area (TPSA) of 34.1 Ų, Pentanal, 3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanal, 3-oxo- has 0 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 Pentanal, 3-oxo-?
The CAS number of Pentanal, 3-oxo- is 623-38-1.
What is the molecular formula of Pentanal, 3-oxo-?
The molecular formula of Pentanal, 3-oxo- is C5H8O2.
What is the molecular weight of Pentanal, 3-oxo-?
The molecular weight of Pentanal, 3-oxo- is 100.05 g/mol.
Where can I buy Pentanal, 3-oxo-?
You can request a quote for Pentanal, 3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanal, 3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Pentanal, 3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.