Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone
TL;DR: Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone (CAS 16983-65-6) is a chemical compound with molecular formula C13H23N3O and molecular weight 237.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethylideneamino]urea
Also Known As: [(Z)-1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethylideneamino]urea|Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone|Ketone, methyl 2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl, semicarbazone
| Molecular Formula | C13H23N3O |
|---|---|
| Molecular Weight | 237.18 g/mol |
| LogP | 2.8032 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.18411 |
| Heavy Atoms | 17 |
| Complexity | 402.88763 |
Chemical Identifiers
| CAS Number | 16983-65-6 |
|---|---|
| SMILES | CC1=C(C(C(C1)(C)C)(C)C)/C(=N\NC(=O)N)/C |
Product Overview
Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone (CAS 16983-65-6), with molecular formula C13H23N3O and molecular weight 237.18 g/mol. IUPAC: [(Z)-1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethylideneamino]urea.
Chemical Property Profile of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone
Property Insights of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone
The XLogP value of 2.8032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone. Following Lipinski's Rule of Five, Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone has 2 hydrogen bond donor(s) and 2 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(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone?
The CAS number of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone is 16983-65-6.
What is the molecular formula of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone?
The molecular formula of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone is C13H23N3O.
What is the molecular weight of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone?
The molecular weight of Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone is 237.18 g/mol.
Where can I buy Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone?
You can request a quote for Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Methyl(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl) ketone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.