4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-
TL;DR: 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- (CAS 59142-94-8) is a chemical compound with molecular formula C14H28O and molecular weight 212.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,5,5,6-heptamethylheptan-4-one
Also Known As: 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-, 2,2,3,3,5,5,6-heptamethylheptan-4-one, 2,2,3,3,5,5,6-heptamethyl-heptan-4-one, 4-Heptanone,2,3,3,5,5,6-heptamethyl-, 4-Heptanone,2,2,3,3,5,5,6-heptamethyl
| Molecular Formula | C14H28O |
|---|---|
| Molecular Weight | 212.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.21402 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 59142-94-8 |
|---|---|
| SMILES | CC(C)C(C)(C)C(=O)C(C)(C)C(C)(C)C |
| InChIKey | YKZLJNRFMQKDSK-UHFFFAOYSA-N |
Product Overview
4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- (CAS 59142-94-8), with molecular formula C14H28O and molecular weight 212.21 g/mol. IUPAC: 2,2,3,3,5,5,6-heptamethylheptan-4-one.
Chemical Property Profile of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-
Property Insights of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-
The XLogP value of 4.7 indicates that 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- 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 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-?
The CAS number of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- is 59142-94-8.
What is the molecular formula of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-?
The molecular formula of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- is C14H28O.
What is the molecular weight of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-?
The molecular weight of 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- is 212.21 g/mol.
Where can I buy 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-?
You can request a quote for 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanone, 2,2,3,3,5,5,6-heptamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.