1,3-Dimethyl 1,3-cyclopentanedicarboxylate
TL;DR: 1,3-Dimethyl 1,3-cyclopentanedicarboxylate (CAS 39590-04-0) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl cyclopentane-1,3-dicarboxylate
Also Known As: dimethyl cyclopentane-1,3-dicarboxylate, Dimethyl norcamphorate, Dimethylnorcamphorate, Cyclopentane-1,3-dicarboxylic acid dimethyl ester, 1,3-dimethyl cyclopentane-1,3-dicarboxylate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 39590-04-0 |
|---|---|
| SMILES | COC(=O)C1CCC(C1)C(=O)OC |
| InChIKey | SQFQEQDRLAZVJQ-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl 1,3-cyclopentanedicarboxylate (CAS 39590-04-0), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: dimethyl cyclopentane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate
Property Insights of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 1,3-cyclopentanedicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Dimethyl 1,3-cyclopentanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl 1,3-cyclopentanedicarboxylate 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 1,3-Dimethyl 1,3-cyclopentanedicarboxylate?
The CAS number of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate is 39590-04-0.
What is the molecular formula of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate?
The molecular formula of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate is C9H14O4.
What is the molecular weight of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate?
The molecular weight of 1,3-Dimethyl 1,3-cyclopentanedicarboxylate is 186.09 g/mol.
Where can I buy 1,3-Dimethyl 1,3-cyclopentanedicarboxylate?
You can request a quote for 1,3-Dimethyl 1,3-cyclopentanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 1,3-cyclopentanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 1,3-cyclopentanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.