Semapimod
TL;DR: Semapimod (CAS 352513-83-8) is a chemical compound with molecular formula C34H52N18O2 and molecular weight 744.45 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
Also Known As: Semapimod, CPSI 2364, N,N'-bis[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide, N~1~,N~10~-Bis(3,5-bis{1-[(diaminomethylidene)hydrazinylidene]ethyl}phenyl)decanediamide
| Molecular Formula | C34H52N18O2 |
|---|---|
| Molecular Weight | 744.45 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 744.4521 |
| Heavy Atoms | 54 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 352513-83-8 |
|---|---|
| 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 |
| InChIKey | PWDYHMBTPGXCSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Semapimod (CAS 352513-83-8), with molecular formula C34H52N18O2 and molecular weight 744.45 g/mol. IUPAC: N,N'-bis[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide.
Chemical Property Profile of Semapimod
Property Insights of Semapimod
The XLogP value of -0.2 indicates that Semapimod is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.0 Ų indicates high polarity, suggesting Semapimod may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Semapimod 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?
The CAS number of Semapimod is 352513-83-8.
What is the molecular formula of Semapimod?
The molecular formula of Semapimod is C34H52N18O2.
What is the molecular weight of Semapimod?
The molecular weight of Semapimod is 744.45 g/mol.
Where can I buy Semapimod?
You can request a quote for Semapimod directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semapimod?
Yes, KEHONG BIO provides custom synthesis services for Semapimod and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.