N5XJ7VUP6Z
TL;DR: N5XJ7VUP6Z (CAS 64247-77-4) is a chemical compound with molecular formula C20H12N4S3 and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
Also Known As: (2E)-2-[(5E)-5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-tr, 2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile, Benzenepropanenitrile, alpha,alpha'-1,2,4-trithiolane-3,5-diylidenebis[beta-imino-
| Molecular Formula | C20H12N4S3 |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0224 |
| Heavy Atoms | 27 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 64247-77-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=N)C(=C2SC(=C(C#N)C(=N)C3=CC=CC=C3)SS2)C#N |
| InChIKey | PZHYZFKULDZSQA-UHFFFAOYSA-N |
Product Overview
N5XJ7VUP6Z (CAS 64247-77-4), with molecular formula C20H12N4S3 and molecular weight 404.02 g/mol. IUPAC: 2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile.
Chemical Property Profile of N5XJ7VUP6Z
Property Insights of N5XJ7VUP6Z
The XLogP value of 4.5 indicates that N5XJ7VUP6Z is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting N5XJ7VUP6Z may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N5XJ7VUP6Z has 2 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 N5XJ7VUP6Z?
The CAS number of N5XJ7VUP6Z is 64247-77-4.
What is the molecular formula of N5XJ7VUP6Z?
The molecular formula of N5XJ7VUP6Z is C20H12N4S3.
What is the molecular weight of N5XJ7VUP6Z?
The molecular weight of N5XJ7VUP6Z is 404.02 g/mol.
Where can I buy N5XJ7VUP6Z?
You can request a quote for N5XJ7VUP6Z directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N5XJ7VUP6Z?
Yes, KEHONG BIO provides custom synthesis services for N5XJ7VUP6Z and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.