6-(Dimethylamino)hexa-3,5-diyn-2-one
TL;DR: 6-(Dimethylamino)hexa-3,5-diyn-2-one (CAS 88357-35-1) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylamino)hexa-3,5-diyn-2-one
Also Known As: 6-(dimethylamino)hexa-3,5-diyn-2-one, 3,5-hexadiyn-2-one, 6-(dimethylamino)-, 3,5-Hexadiyn-2-one, 6-(dimethylamino)- (9CI), InChI=1/C8H9NO/c1-8(10)6-4-5-7-9(2)3/h1-3H
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 88357-35-1 |
|---|---|
| SMILES | CC(=O)C#CC#CN(C)C |
| InChIKey | HAOFPGQXHVXPLS-UHFFFAOYSA-N |
Product Overview
6-(Dimethylamino)hexa-3,5-diyn-2-one (CAS 88357-35-1), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 6-(dimethylamino)hexa-3,5-diyn-2-one.
Chemical Property Profile of 6-(Dimethylamino)hexa-3,5-diyn-2-one
Property Insights of 6-(Dimethylamino)hexa-3,5-diyn-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dimethylamino)hexa-3,5-diyn-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, 6-(Dimethylamino)hexa-3,5-diyn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Dimethylamino)hexa-3,5-diyn-2-one 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 6-(Dimethylamino)hexa-3,5-diyn-2-one?
The CAS number of 6-(Dimethylamino)hexa-3,5-diyn-2-one is 88357-35-1.
What is the molecular formula of 6-(Dimethylamino)hexa-3,5-diyn-2-one?
The molecular formula of 6-(Dimethylamino)hexa-3,5-diyn-2-one is C8H9NO.
What is the molecular weight of 6-(Dimethylamino)hexa-3,5-diyn-2-one?
The molecular weight of 6-(Dimethylamino)hexa-3,5-diyn-2-one is 135.07 g/mol.
Where can I buy 6-(Dimethylamino)hexa-3,5-diyn-2-one?
You can request a quote for 6-(Dimethylamino)hexa-3,5-diyn-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Dimethylamino)hexa-3,5-diyn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Dimethylamino)hexa-3,5-diyn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.