2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile
TL;DR: 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile (CAS 20417-82-7) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-cyano-2-methylcyclopentylidene)amino] N-methylcarbamate
Also Known As: Union carbide UC-23619, 2-1-methylcyclopentanecarbonitrile, ENT 27,332, 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile, Cyclopentanecarbonitrile, 1-methyl-2-oxo-, O-(methylcarbamoyl)oxime
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 20417-82-7 |
|---|---|
| SMILES | CC1(CCCC1=NOC(=O)NC)C#N |
| InChIKey | YFNRHYNDWJXZCS-UHFFFAOYSA-N |
Product Overview
2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile (CAS 20417-82-7), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: [(2-cyano-2-methylcyclopentylidene)amino] N-methylcarbamate.
Chemical Property Profile of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile
Property Insights of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile. Following Lipinski's Rule of Five, 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile 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 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile?
The CAS number of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile is 20417-82-7.
What is the molecular formula of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile?
The molecular formula of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile is C9H13N3O2.
What is the molecular weight of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile?
The molecular weight of 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile is 195.10 g/mol.
Where can I buy 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile?
You can request a quote for 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylcarbamoyloxyimino)-1-methylcyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.