Benextramine
TL;DR: Benextramine (CAS 69790-18-7) is a chemical compound with molecular formula C32H54N4O2S2 and molecular weight 590.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(2-methoxyphenyl)methyl]-N-[2-[2-[6-[(2-methoxyphenyl)methylamino]hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
Also Known As: Benextramine, N,N'-Bmbac, 4-IODOBENZYLAMINE, N,N'-Bis(o-methoxybenzylaminohexyl)cystamine, 5-acetyl-2-methoxy-benzoic acid
| Molecular Formula | C32H54N4O2S2 |
|---|---|
| Molecular Weight | 590.37 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Exact Mass | 590.36884 |
| Heavy Atoms | 40 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 69790-18-7 |
|---|---|
| SMILES | COC1=CC=CC=C1CNCCCCCCNCCSSCCNCCCCCCNCC2=CC=CC=C2OC |
| InChIKey | IIWOUNLDWKZMQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benextramine (CAS 69790-18-7), with molecular formula C32H54N4O2S2 and molecular weight 590.37 g/mol. IUPAC: N'-[(2-methoxyphenyl)methyl]-N-[2-[2-[6-[(2-methoxyphenyl)methylamino]hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine.
Chemical Property Profile of Benextramine
Property Insights of Benextramine
The XLogP value of 5.0 indicates that Benextramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benextramine. Following Lipinski's Rule of Five, Benextramine has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benextramine?
The CAS number of Benextramine is 69790-18-7.
What is the molecular formula of Benextramine?
The molecular formula of Benextramine is C32H54N4O2S2.
What is the molecular weight of Benextramine?
The molecular weight of Benextramine is 590.37 g/mol.
Where can I buy Benextramine?
You can request a quote for Benextramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benextramine?
Yes, KEHONG BIO provides custom synthesis services for Benextramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.