Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-
TL;DR: Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- (CAS 35553-62-9) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,2-dicyanoethenyl)phenyl] N-methylcarbamate
Also Known As: 3-(2,2-dicyanoethenyl)phenyl methylcarbamate, Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-, [3-(2,2-dicyanoethenyl)phenyl] N-methylcarbamate, ((3-(((Methylamino)carbonyl)oxy)phenyl)methylene)propanedinitrile, 3-(2,2-Dicyanoethen-1-yl)phenyl methylcarbamate
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 35553-62-9 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)C=C(C#N)C#N |
| InChIKey | ASPASHQHWZAXBC-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- (CAS 35553-62-9), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: [3-(2,2-dicyanoethenyl)phenyl] N-methylcarbamate.
Chemical Property Profile of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-
Property Insights of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-. Following Lipinski's Rule of Five, Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- has 1 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 Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-?
The CAS number of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- is 35553-62-9.
What is the molecular formula of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-?
The molecular formula of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- is C12H9N3O2.
What is the molecular weight of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-?
The molecular weight of Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- is 227.07 g/mol.
Where can I buy Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-?
You can request a quote for Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, ((3-(((methylamino)carbonyl)oxy)phenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.