![[2-[(Dimethylamino)methyl]cyclohexyl] benzoate structure](/static/products/1173/117307-29-6.webp)
[2-[(Dimethylamino)methyl]cyclohexyl] benzoate
TL;DR: [2-[(Dimethylamino)methyl]cyclohexyl] benzoate (CAS 117307-29-6) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(dimethylamino)methyl]cyclohexyl] benzoate
Also Known As: Damc-benzoate, 2-Dimethylaminomethylcyclohexyl benzoate, [2-(dimethylaminomethyl)cyclohexyl] benzoate, [2-[(dimethylamino)methyl]cyclohexyl] benzoate, Cyclohexanol,2-[(dimethylamino)methyl]-, 1-benzoate, (1S,2S)-
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 117307-29-6 |
|---|---|
| SMILES | CN(C)CC1CCCCC1OC(=O)C2=CC=CC=C2 |
| InChIKey | OYIQBJVQPZHJHK-UHFFFAOYSA-N |
Product Overview
[2-[(Dimethylamino)methyl]cyclohexyl] benzoate (CAS 117307-29-6), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: [2-[(dimethylamino)methyl]cyclohexyl] benzoate.
Chemical Property Profile of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate
Property Insights of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate
The XLogP value of 3.5 indicates that [2-[(Dimethylamino)methyl]cyclohexyl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, [2-[(Dimethylamino)methyl]cyclohexyl] benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[(Dimethylamino)methyl]cyclohexyl] benzoate has 0 hydrogen bond donor(s) and 3 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-[(Dimethylamino)methyl]cyclohexyl] benzoate?
The CAS number of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate is 117307-29-6.
What is the molecular formula of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate?
The molecular formula of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate is C16H23NO2.
What is the molecular weight of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate?
The molecular weight of [2-[(Dimethylamino)methyl]cyclohexyl] benzoate is 261.17 g/mol.
Where can I buy [2-[(Dimethylamino)methyl]cyclohexyl] benzoate?
You can request a quote for [2-[(Dimethylamino)methyl]cyclohexyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(Dimethylamino)methyl]cyclohexyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(Dimethylamino)methyl]cyclohexyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.