NCIStruc1_001181
TL;DR: NCIStruc1_001181 (CAS 6342-26-3) is a chemical compound with molecular formula C16H28N8S4 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6,8,11,13,16,18-octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione
Also Known As: NCIStruc1_001181, NCIStruc2_001004, N,N-dimethyl-1-phenylethane-1,2-diamine, NCI60_004187, 1,3,6,8,11,13,16,18-Octaazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione
| Molecular Formula | C16H28N8S4 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | -1.2668 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 460.132 |
| Heavy Atoms | 28 |
| Complexity | 495.45166 |
Chemical Identifiers
| CAS Number | 6342-26-3 |
|---|---|
| SMILES | C1CN2CCN1CNC(=S)C(=S)NCN3CCN(CC3)CNC(=S)C(=S)NC2 |
Product Overview
NCIStruc1_001181 (CAS 6342-26-3), with molecular formula C16H28N8S4 and molecular weight 460.13 g/mol. IUPAC: 1,3,6,8,11,13,16,18-octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione.
Chemical Property Profile of NCIStruc1_001181
Property Insights of NCIStruc1_001181
The XLogP value of -1.2668 indicates that NCIStruc1_001181 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIStruc1_001181. Following Lipinski's Rule of Five, NCIStruc1_001181 has 4 hydrogen bond donor(s) and 8 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 NCIStruc1_001181?
The CAS number of NCIStruc1_001181 is 6342-26-3.
What is the molecular formula of NCIStruc1_001181?
The molecular formula of NCIStruc1_001181 is C16H28N8S4.
What is the molecular weight of NCIStruc1_001181?
The molecular weight of NCIStruc1_001181 is 460.13 g/mol.
Where can I buy NCIStruc1_001181?
You can request a quote for NCIStruc1_001181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001181?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.