Semapimod 4HCl
TL;DR: Semapimod 4HCl (CAS 164301-51-3) is a chemical compound with molecular formula C34H56Cl4N18O2 and molecular weight 888.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;tetrahydrochloride
Also Known As: Semapimod 4HCl, Semapimod tetrahydrochloride, Semapimod (tetrahydrochloride), N,N'-bis({3,5-bis[1-(carbamimidamidoimino)ethyl]phenyl})decanediamide tetrahydrochloride, N,N'-Bis[3,5-bis[1-(2-amidinohydrazono)ethyl]phenyl]decanediamide tetrahydrochloride
| Molecular Formula | C34H56Cl4N18O2 |
|---|---|
| Molecular Weight | 888.36 g/mol |
| LogP | 3.0614 |
| Topological Polar Surface Area | 365.24 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 888.35876 |
| Heavy Atoms | 58 |
| Complexity | 1653.2433 |
Chemical Identifiers
| CAS Number | 164301-51-3 |
|---|---|
| SMILES | CC(=NN=C(N)N)C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)C(=NN=C(N)N)C)C(=NN=C(N)N)C)C(=NN=C(N)N)C.Cl.Cl.Cl.Cl |
Product Overview
Semapimod 4HCl (CAS 164301-51-3), with molecular formula C34H56Cl4N18O2 and molecular weight 888.36 g/mol. IUPAC: N,N'-bis[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;tetrahydrochloride.
Chemical Property Profile of Semapimod 4HCl
Property Insights of Semapimod 4HCl
The XLogP value of 3.0614 indicates that Semapimod 4HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 365.24 Ų indicates high polarity, suggesting Semapimod 4HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Semapimod 4HCl has 10 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Semapimod 4HCl?
The CAS number of Semapimod 4HCl is 164301-51-3.
What is the molecular formula of Semapimod 4HCl?
The molecular formula of Semapimod 4HCl is C34H56Cl4N18O2.
What is the molecular weight of Semapimod 4HCl?
The molecular weight of Semapimod 4HCl is 888.36 g/mol.
Where can I buy Semapimod 4HCl?
You can request a quote for Semapimod 4HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semapimod 4HCl?
Yes, KEHONG BIO provides custom synthesis services for Semapimod 4HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.