Butanal, 3-(heptyloxy)-2-oxo-
TL;DR: Butanal, 3-(heptyloxy)-2-oxo- (CAS 68555-32-8) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptoxy-2-oxobutanal
Also Known As: 3-(heptyloxy)-2-oxobutanal, Butanal, 3-(heptyloxy)-2-oxo-, 3-heptoxy-2-oxobutanal, 3-Heptyloxy-2-oxobutanal, 3-(Heptyloxy)-2-oxobutyraldehyde
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 68555-32-8 |
|---|---|
| SMILES | CCCCCCCOC(C)C(=O)C=O |
| InChIKey | IBBSMXUZKRPJRG-UHFFFAOYSA-N |
Product Overview
Butanal, 3-(heptyloxy)-2-oxo- (CAS 68555-32-8), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: 3-heptoxy-2-oxobutanal.
Chemical Property Profile of Butanal, 3-(heptyloxy)-2-oxo-
Property Insights of Butanal, 3-(heptyloxy)-2-oxo-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, 3-(heptyloxy)-2-oxo-. With a topological polar surface area (TPSA) of 43.4 Ų, Butanal, 3-(heptyloxy)-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, 3-(heptyloxy)-2-oxo- has 0 hydrogen bond donor(s) and 3 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 Butanal, 3-(heptyloxy)-2-oxo-?
The CAS number of Butanal, 3-(heptyloxy)-2-oxo- is 68555-32-8.
What is the molecular formula of Butanal, 3-(heptyloxy)-2-oxo-?
The molecular formula of Butanal, 3-(heptyloxy)-2-oxo- is C11H20O3.
What is the molecular weight of Butanal, 3-(heptyloxy)-2-oxo-?
The molecular weight of Butanal, 3-(heptyloxy)-2-oxo- is 200.14 g/mol.
Where can I buy Butanal, 3-(heptyloxy)-2-oxo-?
You can request a quote for Butanal, 3-(heptyloxy)-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, 3-(heptyloxy)-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Butanal, 3-(heptyloxy)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.