3-Heptanone, 1,1-diethoxy-
TL;DR: 3-Heptanone, 1,1-diethoxy- (CAS 51149-69-0) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxyheptan-3-one
Also Known As: 1,1-diethoxyheptan-3-one, 1,1-Diethoxy-3-heptanone, 3-Heptanone, 1,1-diethoxy-, 1,1-Diethoxy-3-heptanone #
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 51149-69-0 |
|---|---|
| SMILES | CCCCC(=O)CC(OCC)OCC |
| InChIKey | FNSWXCHLAROPOF-UHFFFAOYSA-N |
Product Overview
3-Heptanone, 1,1-diethoxy- (CAS 51149-69-0), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: 1,1-diethoxyheptan-3-one.
Chemical Property Profile of 3-Heptanone, 1,1-diethoxy-
Property Insights of 3-Heptanone, 1,1-diethoxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptanone, 1,1-diethoxy-. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Heptanone, 1,1-diethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptanone, 1,1-diethoxy- 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 3-Heptanone, 1,1-diethoxy-?
The CAS number of 3-Heptanone, 1,1-diethoxy- is 51149-69-0.
What is the molecular formula of 3-Heptanone, 1,1-diethoxy-?
The molecular formula of 3-Heptanone, 1,1-diethoxy- is C11H22O3.
What is the molecular weight of 3-Heptanone, 1,1-diethoxy-?
The molecular weight of 3-Heptanone, 1,1-diethoxy- is 202.16 g/mol.
Where can I buy 3-Heptanone, 1,1-diethoxy-?
You can request a quote for 3-Heptanone, 1,1-diethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptanone, 1,1-diethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptanone, 1,1-diethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.