NCIOpen2_008955
TL;DR: NCIOpen2_008955 (CAS 2846-78-8) is a chemical compound with molecular formula C12H12Cl2N6O and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]ethanol
Also Known As: NCIOpen2_008955, 2-({2-amino-6-chloro-5-[(e)-(4-chlorophenyl)diazenyl]pyrimidin-4-yl}amino)ethanol, 2-[[2-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4, Ethanol,2-[[2-amino-6-chloro-5-[2-(4-chlorophenyl)diazenyl]-4-pyrimidinyl]amino]-, 2-({2-Amino-6-chloro-5-[(E)-(4-chlorophenyl)diazenyl]pyrimidin-4-yl}amino)ethan-1-ol
| Molecular Formula | C12H12Cl2N6O |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.04495 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 2846-78-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(N=C(N=C2Cl)N)NCCO)Cl |
| InChIKey | BCIQIIHTZDKMTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCIOpen2_008955 (CAS 2846-78-8), with molecular formula C12H12Cl2N6O and molecular weight 326.04 g/mol. IUPAC: 2-[[2-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]ethanol.
Chemical Property Profile of NCIOpen2_008955
Property Insights of NCIOpen2_008955
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008955. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008955. Following Lipinski's Rule of Five, NCIOpen2_008955 has 3 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_008955?
The CAS number of NCIOpen2_008955 is 2846-78-8.
What is the molecular formula of NCIOpen2_008955?
The molecular formula of NCIOpen2_008955 is C12H12Cl2N6O.
What is the molecular weight of NCIOpen2_008955?
The molecular weight of NCIOpen2_008955 is 326.04 g/mol.
Where can I buy NCIOpen2_008955?
You can request a quote for NCIOpen2_008955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008955?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.