Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-
TL;DR: Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- (CAS 52174-12-6) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-2-prop-2-ynoxyphenyl) N-methylcarbamate
Also Known As: (4-cyano-2-prop-2-ynoxyphenyl) N-methylcarbamate, Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-, 4-(((Methylamino)carbonyl)oxy)-3-(2-propynyloxy)benzonitrile, (4-CYANO-2-PROP-2-YNOXY-PHENYL) N-METHYLCARBAMATE, 4-Cyano-2-[(prop-2-yn-1-yl)oxy]phenyl methylcarbamate
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.28848 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 497.4527 |
Chemical Identifiers
| CAS Number | 52174-12-6 |
|---|---|
| SMILES | CNC(=O)OC1=C(C=C(C=C1)C#N)OCC#C |
Product Overview
Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- (CAS 52174-12-6), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: (4-cyano-2-prop-2-ynoxyphenyl) N-methylcarbamate.
Chemical Property Profile of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-
Property Insights of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-
The XLogP value of 1.28848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- 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 Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-?
The CAS number of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- is 52174-12-6.
What is the molecular formula of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-?
The molecular formula of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- is C12H10N2O3.
What is the molecular weight of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-?
The molecular weight of Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- is 230.07 g/mol.
Where can I buy Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-?
You can request a quote for Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(((methylamino)carbonyl)oxy)-3-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.