1,4-Dimethyl 2-bromo-2-methylbutanedioate
TL;DR: 1,4-Dimethyl 2-bromo-2-methylbutanedioate (CAS 29555-26-8) 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-bromo-2-methylbutanedioate
Also Known As: Dimethyl 2-bromo-2-methylsuccinate, dimethyl 2-bromo-2-methylbutanedioate, Dimethyl 2-bromo-2-methylsuccinate #, 1,4-Dimethyl 2-bromo-2-methylbutanedioate, 2-Bromo-2-methylsuccinic acid, dimethyl ester
| Molecular Formula | C7H11BrO4 |
|---|---|
| Molecular Weight | 237.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.98407 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 29555-26-8 |
|---|---|
| SMILES | CC(CC(=O)OC)(C(=O)OC)Br |
| InChIKey | GCJLYNDDFZMIOC-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl 2-bromo-2-methylbutanedioate (CAS 29555-26-8), with molecular formula C7H11BrO4 and molecular weight 237.98 g/mol. IUPAC: dimethyl 2-bromo-2-methylbutanedioate.
Chemical Property Profile of 1,4-Dimethyl 2-bromo-2-methylbutanedioate
Property Insights of 1,4-Dimethyl 2-bromo-2-methylbutanedioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl 2-bromo-2-methylbutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dimethyl 2-bromo-2-methylbutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl 2-bromo-2-methylbutanedioate 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 1,4-Dimethyl 2-bromo-2-methylbutanedioate?
The CAS number of 1,4-Dimethyl 2-bromo-2-methylbutanedioate is 29555-26-8.
What is the molecular formula of 1,4-Dimethyl 2-bromo-2-methylbutanedioate?
The molecular formula of 1,4-Dimethyl 2-bromo-2-methylbutanedioate is C7H11BrO4.
What is the molecular weight of 1,4-Dimethyl 2-bromo-2-methylbutanedioate?
The molecular weight of 1,4-Dimethyl 2-bromo-2-methylbutanedioate is 237.98 g/mol.
Where can I buy 1,4-Dimethyl 2-bromo-2-methylbutanedioate?
You can request a quote for 1,4-Dimethyl 2-bromo-2-methylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl 2-bromo-2-methylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl 2-bromo-2-methylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.