NCI60_020931
TL;DR: NCI60_020931 (CAS 101931-82-2) is a chemical compound with molecular formula C13H17F6N3OS and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ylidene]amino]thiourea
Also Known As: NCI60_020931, Hydrazinecarbothioamide,2-[3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2-cyclohexen-1-ylidene]-, [[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ylidene]amino]thiourea, 2-Cyclohexen-1-one, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-, thiosemicarbazone, Hydrazinecarbothioamide, 2-[3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2-cyclohexen-1-ylidene]-
| Molecular Formula | C13H17F6N3OS |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 3.0237 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.09964 |
| Heavy Atoms | 24 |
| Complexity | 565.2366 |
Chemical Identifiers
| CAS Number | 101931-82-2 |
|---|---|
| SMILES | CC1=CC(=NNC(=S)N)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O |
Product Overview
NCI60_020931 (CAS 101931-82-2), with molecular formula C13H17F6N3OS and molecular weight 377.10 g/mol. IUPAC: [[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ylidene]amino]thiourea.
Chemical Property Profile of NCI60_020931
Property Insights of NCI60_020931
The XLogP value of 3.0237 indicates that NCI60_020931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_020931. Following Lipinski's Rule of Five, NCI60_020931 has 3 hydrogen bond donor(s) and 3 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 NCI60_020931?
The CAS number of NCI60_020931 is 101931-82-2.
What is the molecular formula of NCI60_020931?
The molecular formula of NCI60_020931 is C13H17F6N3OS.
What is the molecular weight of NCI60_020931?
The molecular weight of NCI60_020931 is 377.10 g/mol.
Where can I buy NCI60_020931?
You can request a quote for NCI60_020931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020931?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.