RefChem:253040
TL;DR: RefChem:253040 (CAS 4008-41-7) is a chemical compound with molecular formula C44H83N5 and molecular weight 681.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)-N-[2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethyl]ethanamine
Also Known As: 1H-Imidazole-1-ethanamine,2-(8-heptadecen-1-yl)-N-[2-[2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-4,5-dihydro-, 2-(8-Heptadecen-1-yl)-N-[2-[2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-4,5-dihydro-1H-imidazole-1-ethanamine, 2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine, RefChem:253040
| Molecular Formula | C44H83N5 |
|---|---|
| Molecular Weight | 681.66 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 36 |
| Exact Mass | 681.66486 |
| Heavy Atoms | 49 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 4008-41-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC1=NCCN1CCNCCN2CCN=C2CCCCCCCC=CCCCCCCCC |
| InChIKey | SHYGBSBJZGNMJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:253040 (CAS 4008-41-7), with molecular formula C44H83N5 and molecular weight 681.66 g/mol. IUPAC: 2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)-N-[2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethyl]ethanamine.
Chemical Property Profile of RefChem:253040
Property Insights of RefChem:253040
The XLogP value of 13.1 indicates that RefChem:253040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:253040 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:253040 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 RefChem:253040?
The CAS number of RefChem:253040 is 4008-41-7.
What is the molecular formula of RefChem:253040?
The molecular formula of RefChem:253040 is C44H83N5.
What is the molecular weight of RefChem:253040?
The molecular weight of RefChem:253040 is 681.66 g/mol.
Where can I buy RefChem:253040?
You can request a quote for RefChem:253040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:253040?
Yes, KEHONG BIO provides custom synthesis services for RefChem:253040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.