N(1),N(8)-Diethylspermidine
TL;DR: N(1),N(8)-Diethylspermidine (CAS 5331-03-3) is a chemical compound with molecular formula CCNCCCCNCCCNCC and molecular weight 201.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N'-[3-(ethylamino)propyl]butane-1,4-diamine
Also Known As: N(1),N(8)-Diethylspermidine, N1,N8-Diethylspermidine, 3,7,12-Triazatetradecane, N(1),N(8)-Bis(ethyl)spermidine, KST-1A9376
| Molecular Formula | CCNCCCCNCCCNCC |
|---|---|
| Molecular Weight | 201.22 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 201.2205 |
| Heavy Atoms | 14 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 5331-03-3 |
|---|---|
| SMILES | CCNCCCCNCCCNCC |
| InChIKey | OPGANUOFXWVURM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N(1),N(8)-Diethylspermidine (CAS 5331-03-3), with molecular formula CCNCCCCNCCCNCC and molecular weight 201.22 g/mol. IUPAC: N-ethyl-N'-[3-(ethylamino)propyl]butane-1,4-diamine.
Chemical Property Profile of N(1),N(8)-Diethylspermidine
Property Insights of N(1),N(8)-Diethylspermidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(1),N(8)-Diethylspermidine. With a topological polar surface area (TPSA) of 36.1 Ų, N(1),N(8)-Diethylspermidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(1),N(8)-Diethylspermidine has 3 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 N(1),N(8)-Diethylspermidine?
The CAS number of N(1),N(8)-Diethylspermidine is 5331-03-3.
What is the molecular formula of N(1),N(8)-Diethylspermidine?
The molecular formula of N(1),N(8)-Diethylspermidine is CCNCCCCNCCCNCC.
What is the molecular weight of N(1),N(8)-Diethylspermidine?
The molecular weight of N(1),N(8)-Diethylspermidine is 201.22 g/mol.
Where can I buy N(1),N(8)-Diethylspermidine?
You can request a quote for N(1),N(8)-Diethylspermidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1),N(8)-Diethylspermidine?
Yes, KEHONG BIO provides custom synthesis services for N(1),N(8)-Diethylspermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.