tert-Butyl 2-bromopropanoate
TL;DR: tert-Butyl 2-bromopropanoate (CAS 39149-80-9) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-bromopropanoate
Also Known As: tert-Butyl 2-bromopropanoate, 2-Bromopropionic acid tert-butyl ester, tert-Butyl 2-Bromopropionate, tert-butyl2-bromopropanoate, t-butyl bromopropionate
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 39149-80-9 |
|---|---|
| SMILES | CC(C(=O)OC(C)(C)C)Br |
| InChIKey | CVAWKJKISIPBOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2-bromopropanoate (CAS 39149-80-9), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: tert-butyl 2-bromopropanoate.
Chemical Property Profile of tert-Butyl 2-bromopropanoate
Property Insights of tert-Butyl 2-bromopropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-bromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-bromopropanoate 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-bromopropanoate?
The CAS number of tert-Butyl 2-bromopropanoate is 39149-80-9.
What is the molecular formula of tert-Butyl 2-bromopropanoate?
The molecular formula of tert-Butyl 2-bromopropanoate is C7H13BrO2.
What is the molecular weight of tert-Butyl 2-bromopropanoate?
The molecular weight of tert-Butyl 2-bromopropanoate is 208.01 g/mol.
Where can I buy tert-Butyl 2-bromopropanoate?
You can request a quote for tert-Butyl 2-bromopropanoate 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-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.