Dimethyl cyclohexane-1,3-dicarboxylate
TL;DR: Dimethyl cyclohexane-1,3-dicarboxylate (CAS 10021-92-8) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl cyclohexane-1,3-dicarboxylate
Also Known As: dimethyl cyclohexane-1,3-dicarboxylate, CYCLOHEXANE-1,3-DICARBOXYLIC ACID DIMETHYL ESTER, 1,3-dimethyl cyclohexane-1,3-dicarboxylate, dimethyl 1,3-cyclohexanedicarboxylate, 1,3-Cyclohexanedicarboxylic acid, dimethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 10021-92-8 |
|---|---|
| SMILES | COC(=O)C1CCCC(C1)C(=O)OC |
| InChIKey | BZUOYGUOKMUSPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl cyclohexane-1,3-dicarboxylate (CAS 10021-92-8), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: dimethyl cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl cyclohexane-1,3-dicarboxylate
Property Insights of Dimethyl cyclohexane-1,3-dicarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl cyclohexane-1,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl cyclohexane-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl cyclohexane-1,3-dicarboxylate 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 cyclohexane-1,3-dicarboxylate?
The CAS number of Dimethyl cyclohexane-1,3-dicarboxylate is 10021-92-8.
What is the molecular formula of Dimethyl cyclohexane-1,3-dicarboxylate?
The molecular formula of Dimethyl cyclohexane-1,3-dicarboxylate is C10H16O4.
What is the molecular weight of Dimethyl cyclohexane-1,3-dicarboxylate?
The molecular weight of Dimethyl cyclohexane-1,3-dicarboxylate is 200.10 g/mol.
Where can I buy Dimethyl cyclohexane-1,3-dicarboxylate?
You can request a quote for Dimethyl cyclohexane-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl cyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl cyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.