Dimethyl 2,5-dibromoadipate
TL;DR: Dimethyl 2,5-dibromoadipate (CAS 53490-47-4) is a chemical compound with molecular formula C8H12Br2O4 and molecular weight 329.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dibromohexanedioate
Also Known As: Dimethyl 2,5-dibromohexanedioate, Dimethyl 2,2'-dibromoadipate, dimethyl 2,5-dibromoadipate, DIMETHYL2,2'-DIBROMOADIPATE, Dimethyl2,5-dibromohexanedioate
| Molecular Formula | C8H12Br2O4 |
|---|---|
| Molecular Weight | 329.91 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.91022 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 53490-47-4 |
|---|---|
| SMILES | COC(=O)C(CCC(C(=O)OC)Br)Br |
| InChIKey | HVICCJCVLLCDFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,5-dibromoadipate (CAS 53490-47-4), with molecular formula C8H12Br2O4 and molecular weight 329.91 g/mol. IUPAC: dimethyl 2,5-dibromohexanedioate.
Chemical Property Profile of Dimethyl 2,5-dibromoadipate
Property Insights of Dimethyl 2,5-dibromoadipate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-dibromoadipate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,5-dibromoadipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,5-dibromoadipate 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 2,5-dibromoadipate?
The CAS number of Dimethyl 2,5-dibromoadipate is 53490-47-4.
What is the molecular formula of Dimethyl 2,5-dibromoadipate?
The molecular formula of Dimethyl 2,5-dibromoadipate is C8H12Br2O4.
What is the molecular weight of Dimethyl 2,5-dibromoadipate?
The molecular weight of Dimethyl 2,5-dibromoadipate is 329.91 g/mol.
Where can I buy Dimethyl 2,5-dibromoadipate?
You can request a quote for Dimethyl 2,5-dibromoadipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,5-dibromoadipate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-dibromoadipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.