Venritidine
TL;DR: Venritidine (CAS 93064-63-2) is a chemical compound with molecular formula C18H26N4O3S and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-N-methyl-2-nitro-1-N'-[2-[[5-[[[(1S)-3-tricyclo[2.2.1.02,6]heptanyl]amino]methyl]furan-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine
Also Known As: Venritidine, Venritidine [INN], (Z)-1-N-methyl-2-nitro-1-N'-[2-[[5-[[[(1S)-3-tricyclo[2.2.1.02,6]heptanyl]amino]methyl]furan-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine, (+-)-(Z)-N-Methyl-2-nitro-N'-(2-((5-((tricyclo(2.2.1.O(sup 2,6))hept-3-ylamino)methyl)furfuryl)thio)ethyl)-1,1-ethenediamine
| Molecular Formula | C18H26N4O3S |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 2.1414 |
| Topological Polar Surface Area | 92.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 378.17258 |
| Heavy Atoms | 26 |
| Complexity | 677.731 |
Chemical Identifiers
| CAS Number | 93064-63-2 |
|---|---|
| SMILES | CN/C(=C/[N+](=O)[O-])/NCCSCC1=CC=C(O1)CNC2C3C[C@@H]4C2C4C3 |
Product Overview
Venritidine (CAS 93064-63-2), with molecular formula C18H26N4O3S and molecular weight 378.17 g/mol. IUPAC: (Z)-1-N-methyl-2-nitro-1-N'-[2-[[5-[[[(1S)-3-tricyclo[2.2.1.02,6]heptanyl]amino]methyl]furan-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine.
Chemical Property Profile of Venritidine
Property Insights of Venritidine
The XLogP value of 2.1414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Venritidine. The TPSA of 92.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Venritidine. Following Lipinski's Rule of Five, Venritidine has 3 hydrogen bond donor(s) and 7 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 Venritidine?
The CAS number of Venritidine is 93064-63-2.
What is the molecular formula of Venritidine?
The molecular formula of Venritidine is C18H26N4O3S.
What is the molecular weight of Venritidine?
The molecular weight of Venritidine is 378.17 g/mol.
Where can I buy Venritidine?
You can request a quote for Venritidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Venritidine?
Yes, KEHONG BIO provides custom synthesis services for Venritidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.