![3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami structure](/static/products/6962/6962-97-6.webp)
3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami
TL;DR: 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami (CAS 6962-97-6) is a chemical compound with molecular formula C15H17N5O3S and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-[methyl-[1-(3-nitrophenyl)ethylideneamino]amino]-2-methylsulfanylpyrimidin-4-one
Also Known As: 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami, 3-methyl-6-[methyl-[1-(3-nitrophenyl)ethylideneamino]amino]-2-methylsulfanylpyrimidin-4-one, 3-methyl-6-{1-methyl-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-2-(methylsulfanyl)pyrimidin-4(3h)-one, 4(3H)-PYRIMIDINONE,3-METHYL-6-[1-METHYL-2-[1-(3-NITROPHENYL)ETHYLIDENE]HYDRAZINYL]-2-(METHYLTHIO)-
| Molecular Formula | C15H17N5O3S |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.10522 |
| Heavy Atoms | 24 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 6962-97-6 |
|---|---|
| SMILES | CC(=NN(C)C1=CC(=O)N(C(=N1)SC)C)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | FJLAHXYGLWHKOC-UHFFFAOYSA-N |
Product Overview
3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami (CAS 6962-97-6), with molecular formula C15H17N5O3S and molecular weight 347.11 g/mol. IUPAC: 3-methyl-6-[methyl-[1-(3-nitrophenyl)ethylideneamino]amino]-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami
Property Insights of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami. Following Lipinski's Rule of Five, 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami has 0 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 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami?
The CAS number of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami is 6962-97-6.
What is the molecular formula of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami?
The molecular formula of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami is C15H17N5O3S.
What is the molecular weight of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami?
The molecular weight of 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami is 347.11 g/mol.
Where can I buy 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami?
You can request a quote for 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-6-[methyl-[(E)-1-(3-nitrophenyl)ethylideneamino]ami and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.