(3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one
TL;DR: (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one (CAS 83822-18-8) is a chemical compound with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[6-[[(E)-4-oxopent-2-en-2-yl]amino]hexylamino]pent-3-en-2-one
Also Known As: J2.655.447K, 4,4 -(Hexamethylenebisimino)bis(3-pentene-2-one), (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one, 4-[6-(4-oxopent-2-en-2-ylamino)hexylamino]pent-3-en-2-one, 4-({6-[(4-oxopent-2-en-2-yl)amino]hexyl}amino)pent-3-en-2-one
| Molecular Formula | C16H28N2O2 |
|---|---|
| Molecular Weight | 280.22 g/mol |
| LogP | 2.7116 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 280.2151 |
| Heavy Atoms | 20 |
| Complexity | 334.67316 |
Chemical Identifiers
| CAS Number | 83822-18-8 |
|---|---|
| SMILES | C/C(=C\C(=O)C)/NCCCCCCN/C(=C/C(=O)C)/C |
Product Overview
(3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one (CAS 83822-18-8), with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol. IUPAC: (E)-4-[6-[[(E)-4-oxopent-2-en-2-yl]amino]hexylamino]pent-3-en-2-one.
Chemical Property Profile of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one
Property Insights of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one
The XLogP value of 2.7116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one. With a topological polar surface area (TPSA) of 58.2 Ų, (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one has 2 hydrogen bond donor(s) and 4 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 (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one?
The CAS number of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one is 83822-18-8.
What is the molecular formula of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one?
The molecular formula of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one is C16H28N2O2.
What is the molecular weight of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one?
The molecular weight of (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one is 280.22 g/mol.
Where can I buy (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one?
You can request a quote for (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E,3'E)-4,4'-(hexane-1,6-diyldiimino)bispent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.