NCIOpen2_002476
TL;DR: NCIOpen2_002476 (CAS 77864-13-2) is a chemical compound with molecular formula C12H8N4S2 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,9,11-tetrazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dithione
Also Known As: NCIOpen2_002476, (4aZ,11aZ)-dipyrido[1,2-e:1',2'-f][1,3,5,7]tetrazocine-6,13-, 6h,13h-dipyrido[1,2-a:1',2'-e][1,3,5,7]tetrazocine-6,13-dithione, (3Z,11Z)-1,3,9,11-tetrazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dithione
| Molecular Formula | C12H8N4S2 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.01904 |
| Heavy Atoms | 18 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 77864-13-2 |
|---|---|
| SMILES | C1=CC2=NC(=S)N3C=CC=CC3=NC(=S)N2C=C1 |
| InChIKey | ZSCAOBRQEZLSSB-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002476 (CAS 77864-13-2), with molecular formula C12H8N4S2 and molecular weight 272.02 g/mol. IUPAC: 1,3,9,11-tetrazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dithione.
Chemical Property Profile of NCIOpen2_002476
Property Insights of NCIOpen2_002476
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_002476. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_002476. Following Lipinski's Rule of Five, NCIOpen2_002476 has 0 hydrogen bond donor(s) and 2 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 NCIOpen2_002476?
The CAS number of NCIOpen2_002476 is 77864-13-2.
What is the molecular formula of NCIOpen2_002476?
The molecular formula of NCIOpen2_002476 is C12H8N4S2.
What is the molecular weight of NCIOpen2_002476?
The molecular weight of NCIOpen2_002476 is 272.02 g/mol.
Where can I buy NCIOpen2_002476?
You can request a quote for NCIOpen2_002476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002476?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.