Cyclohexene, 5-ethynyl-3,4-dimethyl-
TL;DR: Cyclohexene, 5-ethynyl-3,4-dimethyl- (CAS 77160-42-0) is a chemical compound with molecular formula C13H20N4O and molecular weight 248.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[amino(methyl)amino]-N-pyridin-4-ylcyclohexane-1-carboxamide
Also Known As: CYCLOHEXENE, 5-ETHYNYL-3,4-DIMETHYL-, Cyclohexanecarboxamide,4- -N-4-pyridinyl-,cis-, 4-(amino-methyl-amino)-N-pyridin-4-yl-cyclohexane-1-carboxamide, Cyclohexanecarboxamide, 4-(1-methylhydrazino)-N-4-pyridinyl- (9CI), Cyclohexanecarboxamide, 4-(1-methylhydrazino)-N-4-pyridinyl-, cis- (9CI)
| Molecular Formula | C13H20N4O |
|---|---|
| Molecular Weight | 248.16 g/mol |
| LogP | 1.3844 |
| Topological Polar Surface Area | 71.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.16371 |
| Heavy Atoms | 18 |
| Complexity | 385.23755 |
Chemical Identifiers
| CAS Number | 77160-42-0 |
|---|---|
| SMILES | CN(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N |
Product Overview
Cyclohexene, 5-ethynyl-3,4-dimethyl- (CAS 77160-42-0), with molecular formula C13H20N4O and molecular weight 248.16 g/mol. IUPAC: 4-[amino(methyl)amino]-N-pyridin-4-ylcyclohexane-1-carboxamide.
Chemical Property Profile of Cyclohexene, 5-ethynyl-3,4-dimethyl-
Property Insights of Cyclohexene, 5-ethynyl-3,4-dimethyl-
The XLogP value of 1.3844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexene, 5-ethynyl-3,4-dimethyl-. The TPSA of 71.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexene, 5-ethynyl-3,4-dimethyl-. Following Lipinski's Rule of Five, Cyclohexene, 5-ethynyl-3,4-dimethyl- has 2 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 Cyclohexene, 5-ethynyl-3,4-dimethyl-?
The CAS number of Cyclohexene, 5-ethynyl-3,4-dimethyl- is 77160-42-0.
What is the molecular formula of Cyclohexene, 5-ethynyl-3,4-dimethyl-?
The molecular formula of Cyclohexene, 5-ethynyl-3,4-dimethyl- is C13H20N4O.
What is the molecular weight of Cyclohexene, 5-ethynyl-3,4-dimethyl-?
The molecular weight of Cyclohexene, 5-ethynyl-3,4-dimethyl- is 248.16 g/mol.
Where can I buy Cyclohexene, 5-ethynyl-3,4-dimethyl-?
You can request a quote for Cyclohexene, 5-ethynyl-3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexene, 5-ethynyl-3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexene, 5-ethynyl-3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.