6-Morpholin-4-ylhexa-3,5-diyn-2-one
TL;DR: 6-Morpholin-4-ylhexa-3,5-diyn-2-one (CAS 80487-55-4) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-morpholin-4-ylhexa-3,5-diyn-2-one
Also Known As: 6-morpholin-4-ylhexa-3,5-diyn-2-one, 6-Morpholino-3,5-hexadiin-2-on, 1-Morpholino-1,3-hexadiyne-5-one, 6-Morpholino-3,5-hexadiyne-2-one, 3,5-hexadiyn-2-one, 6-(4-morpholinyl)-
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 80487-55-4 |
|---|---|
| SMILES | CC(=O)C#CC#CN1CCOCC1 |
| InChIKey | PQSCQJYZZTYSNJ-UHFFFAOYSA-N |
Product Overview
6-Morpholin-4-ylhexa-3,5-diyn-2-one (CAS 80487-55-4), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 6-morpholin-4-ylhexa-3,5-diyn-2-one.
Chemical Property Profile of 6-Morpholin-4-ylhexa-3,5-diyn-2-one
Property Insights of 6-Morpholin-4-ylhexa-3,5-diyn-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Morpholin-4-ylhexa-3,5-diyn-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, 6-Morpholin-4-ylhexa-3,5-diyn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Morpholin-4-ylhexa-3,5-diyn-2-one 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 6-Morpholin-4-ylhexa-3,5-diyn-2-one?
The CAS number of 6-Morpholin-4-ylhexa-3,5-diyn-2-one is 80487-55-4.
What is the molecular formula of 6-Morpholin-4-ylhexa-3,5-diyn-2-one?
The molecular formula of 6-Morpholin-4-ylhexa-3,5-diyn-2-one is C10H11NO2.
What is the molecular weight of 6-Morpholin-4-ylhexa-3,5-diyn-2-one?
The molecular weight of 6-Morpholin-4-ylhexa-3,5-diyn-2-one is 177.08 g/mol.
Where can I buy 6-Morpholin-4-ylhexa-3,5-diyn-2-one?
You can request a quote for 6-Morpholin-4-ylhexa-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-Morpholin-4-ylhexa-3,5-diyn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Morpholin-4-ylhexa-3,5-diyn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.