NCIOpen2_008390
TL;DR: NCIOpen2_008390 (CAS 4503-67-7) is a chemical compound with molecular formula C8H12F6N4S2 and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]sulfanyl N-(dimethylamino)-2,2,2-trifluoroethanimidothioate
Also Known As: NCIOpen2_008390, [(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]sulf, 2,2'-[disulfanediylbis(2,2,2-trifluoroeth-1-yl-1-ylidene)]bis(dimethylhydrazine), [N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]sulfanyl N-(dimethylamino)-2,2,2-trifluoroethanimidothioate
| Molecular Formula | C8H12F6N4S2 |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.04077 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 4503-67-7 |
|---|---|
| SMILES | CN(C)N=C(C(F)(F)F)SSC(=NN(C)C)C(F)(F)F |
| InChIKey | TYPYVVAKBZVSBB-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008390 (CAS 4503-67-7), with molecular formula C8H12F6N4S2 and molecular weight 342.04 g/mol. IUPAC: [N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]sulfanyl N-(dimethylamino)-2,2,2-trifluoroethanimidothioate.
Chemical Property Profile of NCIOpen2_008390
Property Insights of NCIOpen2_008390
The XLogP value of 4.2 indicates that NCIOpen2_008390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008390. Following Lipinski's Rule of Five, NCIOpen2_008390 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCIOpen2_008390?
The CAS number of NCIOpen2_008390 is 4503-67-7.
What is the molecular formula of NCIOpen2_008390?
The molecular formula of NCIOpen2_008390 is C8H12F6N4S2.
What is the molecular weight of NCIOpen2_008390?
The molecular weight of NCIOpen2_008390 is 342.04 g/mol.
Where can I buy NCIOpen2_008390?
You can request a quote for NCIOpen2_008390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008390?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.