NCIOpen2_002304
TL;DR: NCIOpen2_002304 (CAS 7400-18-2) is a chemical compound with molecular formula C11H19N5O2S and molecular weight 285.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxamide
Also Known As: NCIOpen2_002304, N-[2-(diethylamino)ethyl]-2-methyl-5-oxo-3-sulfanylidene-1,2, N-(2-diethylaminoethyl)-2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxamide, N-(2-diethylaminoethyl)-2-methyl-5-oxo-3-thioxo-1,2,4-triazine-6-carboxamide, N-[2-(diethylamino)ethyl]-2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxamide
| Molecular Formula | C11H19N5O2S |
|---|---|
| Molecular Weight | 285.13 g/mol |
| LogP | -0.09051 |
| Topological Polar Surface Area | 83.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.12595 |
| Heavy Atoms | 19 |
| Complexity | 546.7519 |
Chemical Identifiers
| CAS Number | 7400-18-2 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=NN(C(=S)NC1=O)C |
Product Overview
NCIOpen2_002304 (CAS 7400-18-2), with molecular formula C11H19N5O2S and molecular weight 285.13 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxamide.
Chemical Property Profile of NCIOpen2_002304
Property Insights of NCIOpen2_002304
The XLogP value of -0.09051 indicates that NCIOpen2_002304 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.02 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_002304. Following Lipinski's Rule of Five, NCIOpen2_002304 has 2 hydrogen bond donor(s) and 5 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_002304?
The CAS number of NCIOpen2_002304 is 7400-18-2.
What is the molecular formula of NCIOpen2_002304?
The molecular formula of NCIOpen2_002304 is C11H19N5O2S.
What is the molecular weight of NCIOpen2_002304?
The molecular weight of NCIOpen2_002304 is 285.13 g/mol.
Where can I buy NCIOpen2_002304?
You can request a quote for NCIOpen2_002304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002304?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.