5-Octyn-4-one, 2,7-dimethyl-
TL;DR: 5-Octyn-4-one, 2,7-dimethyl- (CAS 29030-74-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dimethyloct-5-yn-4-one
Also Known As: 2,7-dimethyloct-5-yn-4-one, 2,7-Dimethyl-5-octyn-4-one, 5-Octyn-4-one, 2,7-dimethyl-, 2,7-Dimethyl-5-octyn-4-one #
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 29030-74-8 |
|---|---|
| SMILES | CC(C)CC(=O)C#CC(C)C |
| InChIKey | NRAGAXBVWMYYNQ-UHFFFAOYSA-N |
Product Overview
5-Octyn-4-one, 2,7-dimethyl- (CAS 29030-74-8), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 2,7-dimethyloct-5-yn-4-one.
Chemical Property Profile of 5-Octyn-4-one, 2,7-dimethyl-
Property Insights of 5-Octyn-4-one, 2,7-dimethyl-
The XLogP value of 3.0 indicates that 5-Octyn-4-one, 2,7-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Octyn-4-one, 2,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Octyn-4-one, 2,7-dimethyl- 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 5-Octyn-4-one, 2,7-dimethyl-?
The CAS number of 5-Octyn-4-one, 2,7-dimethyl- is 29030-74-8.
What is the molecular formula of 5-Octyn-4-one, 2,7-dimethyl-?
The molecular formula of 5-Octyn-4-one, 2,7-dimethyl- is C10H16O.
What is the molecular weight of 5-Octyn-4-one, 2,7-dimethyl-?
The molecular weight of 5-Octyn-4-one, 2,7-dimethyl- is 152.12 g/mol.
Where can I buy 5-Octyn-4-one, 2,7-dimethyl-?
You can request a quote for 5-Octyn-4-one, 2,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Octyn-4-one, 2,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Octyn-4-one, 2,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.