RefChem:1077861
TL;DR: RefChem:1077861 (CAS 154496-69-2) is a chemical compound with molecular formula C15H17N5O2S and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-propan-2-ylsulfanylpyrimidin-4-amine
Also Known As: 4-Nitrobenzaldehyde (6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)hydrazone, Benzaldehyde, 4-nitro-, (6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)hydrazone, 6-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-propan-2-ylsulfanylpyrimidin-4-amine, (E)-2-(isopropylthio)-4-methyl-6-(2-(4-nitrobenzylidene)hydrazinyl)pyrimidine, 4-methyl-6-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-2-(propan-2-ylsulfanyl)pyrimidine
| Molecular Formula | C15H17N5O2S |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 3.63972 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1103 |
| Heavy Atoms | 23 |
| Complexity | 716.3072 |
Chemical Identifiers
| CAS Number | 154496-69-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C)C)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
RefChem:1077861 (CAS 154496-69-2), with molecular formula C15H17N5O2S and molecular weight 331.11 g/mol. IUPAC: 6-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-propan-2-ylsulfanylpyrimidin-4-amine.
Chemical Property Profile of RefChem:1077861
Property Insights of RefChem:1077861
The XLogP value of 3.63972 indicates that RefChem:1077861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1077861. Following Lipinski's Rule of Five, RefChem:1077861 has 1 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 RefChem:1077861?
The CAS number of RefChem:1077861 is 154496-69-2.
What is the molecular formula of RefChem:1077861?
The molecular formula of RefChem:1077861 is C15H17N5O2S.
What is the molecular weight of RefChem:1077861?
The molecular weight of RefChem:1077861 is 331.11 g/mol.
Where can I buy RefChem:1077861?
You can request a quote for RefChem:1077861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.