NCI60_036697
TL;DR: NCI60_036697 (CAS 79131-48-9) is a chemical compound with molecular formula C18H26N6O2S3 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyclohexylideneamino)-2-[[5-[2-(2-cyclohexylidenehydrazinyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: NCI60_036697, 2,2'-((1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl))bis(N'-cyclohexylideneacetohydrazide), 2,2'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis(N'-cyclohexylideneacetohydrazide), N-(cyclohexylideneamino)-2-[[5-[2-(2-cyclohexylidenehydrazinyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C18H26N6O2S3 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.12793 |
| Heavy Atoms | 29 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 79131-48-9 |
|---|---|
| SMILES | C1CCC(=NNC(=O)CSC2=NN=C(S2)SCC(=O)NN=C3CCCCC3)CC1 |
| InChIKey | SXPGVKFECHJASN-UHFFFAOYSA-N |
Product Overview
NCI60_036697 (CAS 79131-48-9), with molecular formula C18H26N6O2S3 and molecular weight 454.13 g/mol. IUPAC: N-(cyclohexylideneamino)-2-[[5-[2-(2-cyclohexylidenehydrazinyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of NCI60_036697
Property Insights of NCI60_036697
The XLogP value of 3.1 indicates that NCI60_036697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting NCI60_036697 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_036697 has 2 hydrogen bond donor(s) and 9 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_036697?
The CAS number of NCI60_036697 is 79131-48-9.
What is the molecular formula of NCI60_036697?
The molecular formula of NCI60_036697 is C18H26N6O2S3.
What is the molecular weight of NCI60_036697?
The molecular weight of NCI60_036697 is 454.13 g/mol.
Where can I buy NCI60_036697?
You can request a quote for NCI60_036697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_036697?
Yes, KEHONG BIO provides custom synthesis services for NCI60_036697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.