![methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate structure](/static/products/116/1164559-18-5.png)
methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate
TL;DR: methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate (CAS 1164559-18-5) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[dimethylamino(methylsulfanyl)methylidene]amino]benzoate
Also Known As: (Z)-methyl 2-(((dimethylamino)(methylthio)methylene)amino)benzoate, methyl 2-[[dimethylamino(methylsulfanyl)methylidene]amino]benzoate, methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 1164559-18-5 |
|---|---|
| SMILES | CN(C)C(=NC1=CC=CC=C1C(=O)OC)SC |
| InChIKey | VZDUNVJEUXQWKU-UHFFFAOYSA-N |
Product Overview
methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate (CAS 1164559-18-5), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: methyl 2-[[dimethylamino(methylsulfanyl)methylidene]amino]benzoate.
Chemical Property Profile of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate
Property Insights of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate has 0 hydrogen bond donor(s) and 4 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 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate?
The CAS number of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate is 1164559-18-5.
What is the molecular formula of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate?
The molecular formula of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate is C12H16N2O2S.
What is the molecular weight of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate?
The molecular weight of methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate is 252.09 g/mol.
Where can I buy methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate?
You can request a quote for methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(Z)-(dimethylamino)(methylsulfanyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.