tert-Butyl 2,3-dibromopropanoate
TL;DR: tert-Butyl 2,3-dibromopropanoate (CAS 49855-41-6) is a chemical compound with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,3-dibromopropanoate
Also Known As: tert-Butyl 2,3-dibromopropanoate, t-butyl 2,3-dibromopropionate, tert-Butyl2,3-dibromopropanoate, tert-Butyl 2,3-dibromopropanoate #, 2,3-Dibromopropanoic acid tert-butyl ester
| Molecular Formula | C7H12Br2O2 |
|---|---|
| Molecular Weight | 285.92 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.9204 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 49855-41-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CBr)Br |
| InChIKey | PFUYTJUZEPQIIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2,3-dibromopropanoate (CAS 49855-41-6), with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol. IUPAC: tert-butyl 2,3-dibromopropanoate.
Chemical Property Profile of tert-Butyl 2,3-dibromopropanoate
Property Insights of tert-Butyl 2,3-dibromopropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2,3-dibromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 2,3-dibromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2,3-dibromopropanoate has 0 hydrogen bond donor(s) and 2 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 tert-Butyl 2,3-dibromopropanoate?
The CAS number of tert-Butyl 2,3-dibromopropanoate is 49855-41-6.
What is the molecular formula of tert-Butyl 2,3-dibromopropanoate?
The molecular formula of tert-Butyl 2,3-dibromopropanoate is C7H12Br2O2.
What is the molecular weight of tert-Butyl 2,3-dibromopropanoate?
The molecular weight of tert-Butyl 2,3-dibromopropanoate is 285.92 g/mol.
Where can I buy tert-Butyl 2,3-dibromopropanoate?
You can request a quote for tert-Butyl 2,3-dibromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2,3-dibromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2,3-dibromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.