3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-
TL;DR: 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- (CAS 75776-35-1) is a chemical compound with molecular formula C28H49NO2 and molecular weight 431.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptadecyl-5-(pentylamino)cyclohexa-3,5-diene-1,2-dione
Also Known As: 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-, 3-heptadecyl-5-(pentylamino)cyclohexa-3,5-diene-1,2-dione
| Molecular Formula | C28H49NO2 |
|---|---|
| Molecular Weight | 431.38 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 431.37634 |
| Heavy Atoms | 31 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 75776-35-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=CC(=CC(=O)C1=O)NCCCCC |
| InChIKey | HSVBBCAOVOWXMK-UHFFFAOYSA-N |
Product Overview
3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- (CAS 75776-35-1), with molecular formula C28H49NO2 and molecular weight 431.38 g/mol. IUPAC: 3-heptadecyl-5-(pentylamino)cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-
Property Insights of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-
The XLogP value of 10.8 indicates that 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-?
The CAS number of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- is 75776-35-1.
What is the molecular formula of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-?
The molecular formula of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- is C28H49NO2.
What is the molecular weight of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-?
The molecular weight of 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- is 431.38 g/mol.
Where can I buy 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-?
You can request a quote for 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.