NCIOpen2_009617
TL;DR: NCIOpen2_009617 (CAS 10514-48-4) is a chemical compound with molecular formula C13H22N6S2 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3,5-trimethyl-4-[3-(methylcarbamothioylhydrazinylidene)butyl]pyrazole-1-carbothioamide
Also Known As: NCIOpen2_009617, Pyrazole-1-carboxamide, N,3,5-trimethyl-4-(3-oxobutyl)thio-,, N,3,5-trimethyl-4-[3-(methylcarbamothioylhydrazinylidene)butyl]pyrazole-1-carbothioamide, N,3,5-Trimethyl-4-(3-{2-[(methylimino)(sulfanyl)methyl]hydrazinylidene}butyl)-1H-pyrazole-1-carboximidothioic acid
| Molecular Formula | C13H22N6S2 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.25474 |
| Topological Polar Surface Area | 66.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.13474 |
| Heavy Atoms | 21 |
| Complexity | 561.25287 |
Chemical Identifiers
| CAS Number | 10514-48-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=S)NC)C)CCC(=NNC(=S)NC)C |
Product Overview
NCIOpen2_009617 (CAS 10514-48-4), with molecular formula C13H22N6S2 and molecular weight 326.13 g/mol. IUPAC: N,3,5-trimethyl-4-[3-(methylcarbamothioylhydrazinylidene)butyl]pyrazole-1-carbothioamide.
Chemical Property Profile of NCIOpen2_009617
Property Insights of NCIOpen2_009617
The XLogP value of 1.25474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_009617. The TPSA of 66.27 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_009617. Following Lipinski's Rule of Five, NCIOpen2_009617 has 3 hydrogen bond donor(s) and 4 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_009617?
The CAS number of NCIOpen2_009617 is 10514-48-4.
What is the molecular formula of NCIOpen2_009617?
The molecular formula of NCIOpen2_009617 is C13H22N6S2.
What is the molecular weight of NCIOpen2_009617?
The molecular weight of NCIOpen2_009617 is 326.13 g/mol.
Where can I buy NCIOpen2_009617?
You can request a quote for NCIOpen2_009617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009617?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.