Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate
TL;DR: Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate (CAS 1659-97-8) is a chemical compound with molecular formula C10H14Br2O4 and molecular weight 355.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate
Also Known As: dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate, 1,4-dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate, 1,4-dimethyl (1s,4s)-1,4-dibromocyclohexane-1,4-dicarboxylate
| Molecular Formula | C10H14Br2O4 |
|---|---|
| Molecular Weight | 355.93 g/mol |
| LogP | 2.1738 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.92587 |
| Heavy Atoms | 16 |
| Complexity | 265.19415 |
Chemical Identifiers
| CAS Number | 1659-97-8 |
|---|---|
| SMILES | COC(=O)C1(CCC(CC1)(C(=O)OC)Br)Br |
Product Overview
Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate (CAS 1659-97-8), with molecular formula C10H14Br2O4 and molecular weight 355.93 g/mol. IUPAC: dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate
Property Insights of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate
The XLogP value of 2.1738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 1,4-dibromocyclohexane-1,4-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-dibromocyclohexane-1,4-dicarboxylate?
The CAS number of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate is 1659-97-8.
What is the molecular formula of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate?
The molecular formula of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate is C10H14Br2O4.
What is the molecular weight of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate?
The molecular weight of Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate is 355.93 g/mol.
Where can I buy Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate?
You can request a quote for Dimethyl 1,4-dibromocyclohexane-1,4-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-dibromocyclohexane-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,4-dibromocyclohexane-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.