(4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one
TL;DR: (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one (CAS 5432-78-0) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-oxopentan-2-ylideneamino)phenyl]iminopentan-2-one
Also Known As: KST-1A6732, (4e,4'e)-4,4'-(benzene-1,3-diyldinitrilo)dipentan-2-one, 4-[3-(4-oxopentan-2-ylideneamino)phenyl]iminopentan-2-one, (4E,4'E)-4,4'-[1,3-Phenylenebis(azanylylidene)]di(pentan-2-one)
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 5432-78-0 |
|---|---|
| SMILES | CC(=NC1=CC(=CC=C1)N=C(C)CC(=O)C)CC(=O)C |
| InChIKey | KTHNFIGMSOICNJ-UHFFFAOYSA-N |
Product Overview
(4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one (CAS 5432-78-0), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 4-[3-(4-oxopentan-2-ylideneamino)phenyl]iminopentan-2-one.
Chemical Property Profile of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one
Property Insights of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one. With a topological polar surface area (TPSA) of 58.9 Ų, (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one has 0 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 (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one?
The CAS number of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one is 5432-78-0.
What is the molecular formula of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one?
The molecular formula of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one is C16H20N2O2.
What is the molecular weight of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one?
The molecular weight of (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one is 272.15 g/mol.
Where can I buy (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one?
You can request a quote for (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (4e,4'e)-4,4'-(Benzene-1,3-diyldinitrilo)dipentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.