1,5-Dimethyl 2-bromopentanedioate
TL;DR: 1,5-Dimethyl 2-bromopentanedioate (CAS 760-94-1) is a chemical compound with molecular formula C7H11BrO4 and molecular weight 237.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-bromopentanedioate
Also Known As: dimethyl 2-bromopentanedioate, Dimethyl a-bromoglutarate, Dimethyl alpha-bromoglutarate, 1,5-DIMETHYL 2-BROMOPENTANEDIOATE, dimethyl-2-bromoglutarate
| Molecular Formula | C7H11BrO4 |
|---|---|
| Molecular Weight | 237.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.98407 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 760-94-1 |
|---|---|
| SMILES | COC(=O)CCC(C(=O)OC)Br |
| InChIKey | MUPSZQADJPIQMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dimethyl 2-bromopentanedioate (CAS 760-94-1), with molecular formula C7H11BrO4 and molecular weight 237.98 g/mol. IUPAC: dimethyl 2-bromopentanedioate.
Chemical Property Profile of 1,5-Dimethyl 2-bromopentanedioate
Property Insights of 1,5-Dimethyl 2-bromopentanedioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl 2-bromopentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Dimethyl 2-bromopentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl 2-bromopentanedioate 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 1,5-Dimethyl 2-bromopentanedioate?
The CAS number of 1,5-Dimethyl 2-bromopentanedioate is 760-94-1.
What is the molecular formula of 1,5-Dimethyl 2-bromopentanedioate?
The molecular formula of 1,5-Dimethyl 2-bromopentanedioate is C7H11BrO4.
What is the molecular weight of 1,5-Dimethyl 2-bromopentanedioate?
The molecular weight of 1,5-Dimethyl 2-bromopentanedioate is 237.98 g/mol.
Where can I buy 1,5-Dimethyl 2-bromopentanedioate?
You can request a quote for 1,5-Dimethyl 2-bromopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl 2-bromopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl 2-bromopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.