2,6-Bis(butylamino)hepta-2,5-dien-4-one
TL;DR: 2,6-Bis(butylamino)hepta-2,5-dien-4-one (CAS 1117-08-4) is a chemical compound with molecular formula C15H28N2O and molecular weight 252.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(butylamino)hepta-2,5-dien-4-one
Also Known As: 2,6-bis(butylamino)hepta-2,5-dien-4-one, 2,5-Heptadien-4-one,2,6-bis(butylamino)-
| Molecular Formula | C15H28N2O |
|---|---|
| Molecular Weight | 252.22 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.22017 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 1117-08-4 |
|---|---|
| SMILES | CCCCNC(=CC(=O)C=C(C)NCCCC)C |
| InChIKey | ZQYCPLZINMEUGK-UHFFFAOYSA-N |
Product Overview
2,6-Bis(butylamino)hepta-2,5-dien-4-one (CAS 1117-08-4), with molecular formula C15H28N2O and molecular weight 252.22 g/mol. IUPAC: 2,6-bis(butylamino)hepta-2,5-dien-4-one.
Chemical Property Profile of 2,6-Bis(butylamino)hepta-2,5-dien-4-one
Property Insights of 2,6-Bis(butylamino)hepta-2,5-dien-4-one
The XLogP value of 4.2 indicates that 2,6-Bis(butylamino)hepta-2,5-dien-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2,6-Bis(butylamino)hepta-2,5-dien-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(butylamino)hepta-2,5-dien-4-one has 2 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 2,6-Bis(butylamino)hepta-2,5-dien-4-one?
The CAS number of 2,6-Bis(butylamino)hepta-2,5-dien-4-one is 1117-08-4.
What is the molecular formula of 2,6-Bis(butylamino)hepta-2,5-dien-4-one?
The molecular formula of 2,6-Bis(butylamino)hepta-2,5-dien-4-one is C15H28N2O.
What is the molecular weight of 2,6-Bis(butylamino)hepta-2,5-dien-4-one?
The molecular weight of 2,6-Bis(butylamino)hepta-2,5-dien-4-one is 252.22 g/mol.
Where can I buy 2,6-Bis(butylamino)hepta-2,5-dien-4-one?
You can request a quote for 2,6-Bis(butylamino)hepta-2,5-dien-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(butylamino)hepta-2,5-dien-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(butylamino)hepta-2,5-dien-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.