Dimethyl cyclohexylpropanedioate
TL;DR: Dimethyl cyclohexylpropanedioate (CAS 49769-76-8) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-cyclohexylpropanedioate
Also Known As: DIMETHYL 2-CYCLOHEXYLMALONATE, Dimethyl cyclohexylmalonate, Dimethyl 2-cyclohexylpropanedioate, 1,3-dimethyl 2-cyclohexylpropanedioate, Dimethyl cyclohexylpropanedioate
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 1.5289 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 214.74242 |
Chemical Identifiers
| CAS Number | 49769-76-8 |
|---|---|
| SMILES | COC(=O)C(C1CCCCC1)C(=O)OC |
Product Overview
Dimethyl cyclohexylpropanedioate (CAS 49769-76-8), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: dimethyl 2-cyclohexylpropanedioate.
Chemical Property Profile of Dimethyl cyclohexylpropanedioate
Property Insights of Dimethyl cyclohexylpropanedioate
The XLogP value of 1.5289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl cyclohexylpropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl cyclohexylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl cyclohexylpropanedioate has 0 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 Dimethyl cyclohexylpropanedioate?
The CAS number of Dimethyl cyclohexylpropanedioate is 49769-76-8.
What is the molecular formula of Dimethyl cyclohexylpropanedioate?
The molecular formula of Dimethyl cyclohexylpropanedioate is C11H18O4.
What is the molecular weight of Dimethyl cyclohexylpropanedioate?
The molecular weight of Dimethyl cyclohexylpropanedioate is 214.12 g/mol.
Where can I buy Dimethyl cyclohexylpropanedioate?
You can request a quote for Dimethyl cyclohexylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl cyclohexylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl cyclohexylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.