Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate
TL;DR: Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate (CAS 14309-54-7) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl cyclohexa-1,4-diene-1,2-dicarboxylate
Also Known As: Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate, N-Carbamoylmaleimide, Dimethyl 3,6-Dihydrophthalate, dimethyl cyclohexa-1,4-diene-1,2-dicarboxylate, 3,6-Dihydrophthalic acid dimethyl ester
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 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 | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 14309-54-7 |
|---|---|
| SMILES | COC(=O)C1=C(CC=CC1)C(=O)OC |
| InChIKey | LHDSILFDQOEEGI-UHFFFAOYSA-N |
Product Overview
Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate (CAS 14309-54-7), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: dimethyl cyclohexa-1,4-diene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate
Property Insights of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 1,4-cyclohexadiene-1,2-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 1,4-cyclohexadiene-1,2-dicarboxylate?
The CAS number of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate is 14309-54-7.
What is the molecular formula of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate?
The molecular formula of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate is C10H12O4.
What is the molecular weight of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate?
The molecular weight of Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate is 196.07 g/mol.
Where can I buy Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate?
You can request a quote for Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.