![Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate structure](/static/products/2411/241127-17-3.webp)
Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate
TL;DR: Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate (CAS 241127-17-3) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[tert-butylsulfonyl(cyano)methylidene]hydrazinyl]benzoate
Also Known As: methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate, methyl 4-[2-[tert-butylsulfonyl(cyano)methylidene]hydrazinyl]benzoate, methyl 4-[(2E)-2-[tert-butylsulfonyl(cyano)methylidene]hydrazinyl]benzoate, Methyl 4-[2-(cyano-tert-butylsulfonyl-methylidene)hydrazinyl]benzoate, Methyl 4-[2-[cyano[(1,1-dimethylethyl)sulfonyl]methylene]hydrazinyl]benzoate
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 1.93548 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 722.83685 |
Chemical Identifiers
| CAS Number | 241127-17-3 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)C(=O)OC)C#N |
Product Overview
Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate (CAS 241127-17-3), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: methyl 4-[2-[tert-butylsulfonyl(cyano)methylidene]hydrazinyl]benzoate.
Chemical Property Profile of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate
Property Insights of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate
The XLogP value of 1.93548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate 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 Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate?
The CAS number of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate is 241127-17-3.
What is the molecular formula of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate?
The molecular formula of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate is C14H17N3O4S.
What is the molecular weight of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate?
The molecular weight of Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate is 323.09 g/mol.
Where can I buy Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate?
You can request a quote for Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{2-[(tert-butylsulfonyl)(cyano)methylene]hydrazino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.