NCIOpen2_008677
TL;DR: NCIOpen2_008677 (CAS 2846-79-9) is a chemical compound with molecular formula C12H13ClN6OS and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[(4-chlorophenyl)diazenyl]-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
Also Known As: NCIOpen2_008677, (5E)-2-amino-5-[(4-chlorophenyl)hydrazinylidene]-6-(2-hydrox, 2-amino-5-[(4-chlorophenyl)diazenyl]-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione, 2-amino-5-[(4-chlorophenyl)hydrazinylidene]-6-(2-hydroxyethylamino)pyrimidine-4-thione, (5E)-2-amino-5-[(4-chlorophenyl)hydrazinylidene]-6-(2-hydroxyethylamino)pyrimidine-4-thione
| Molecular Formula | C12H13ClN6OS |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 3.19439 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.056 |
| Heavy Atoms | 21 |
| Complexity | 699.8841 |
Chemical Identifiers
| CAS Number | 2846-79-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(NC(=NC2=S)N)NCCO)Cl |
Product Overview
NCIOpen2_008677 (CAS 2846-79-9), with molecular formula C12H13ClN6OS and molecular weight 324.06 g/mol. IUPAC: 2-amino-5-[(4-chlorophenyl)diazenyl]-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione.
Chemical Property Profile of NCIOpen2_008677
Property Insights of NCIOpen2_008677
The XLogP value of 3.19439 indicates that NCIOpen2_008677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008677. Following Lipinski's Rule of Five, NCIOpen2_008677 has 4 hydrogen bond donor(s) and 7 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_008677?
The CAS number of NCIOpen2_008677 is 2846-79-9.
What is the molecular formula of NCIOpen2_008677?
The molecular formula of NCIOpen2_008677 is C12H13ClN6OS.
What is the molecular weight of NCIOpen2_008677?
The molecular weight of NCIOpen2_008677 is 324.06 g/mol.
Where can I buy NCIOpen2_008677?
You can request a quote for NCIOpen2_008677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008677?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.