Prop-2-en-1-yl 2-bromobutanoate
TL;DR: Prop-2-en-1-yl 2-bromobutanoate (CAS 6953-46-4) is a chemical compound with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-bromobutanoate
Also Known As: prop-2-en-1-yl 2-bromobutanoate, prop-2-enyl 2-bromobutanoate
| Molecular Formula | C7H11BrO2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.99425 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 6953-46-4 |
|---|---|
| SMILES | CCC(C(=O)OCC=C)Br |
| InChIKey | YODSFICKWRHBKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-en-1-yl 2-bromobutanoate (CAS 6953-46-4), with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol. IUPAC: prop-2-enyl 2-bromobutanoate.
Chemical Property Profile of Prop-2-en-1-yl 2-bromobutanoate
Property Insights of Prop-2-en-1-yl 2-bromobutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-en-1-yl 2-bromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Prop-2-en-1-yl 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-en-1-yl 2-bromobutanoate 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 Prop-2-en-1-yl 2-bromobutanoate?
The CAS number of Prop-2-en-1-yl 2-bromobutanoate is 6953-46-4.
What is the molecular formula of Prop-2-en-1-yl 2-bromobutanoate?
The molecular formula of Prop-2-en-1-yl 2-bromobutanoate is C7H11BrO2.
What is the molecular weight of Prop-2-en-1-yl 2-bromobutanoate?
The molecular weight of Prop-2-en-1-yl 2-bromobutanoate is 205.99 g/mol.
Where can I buy Prop-2-en-1-yl 2-bromobutanoate?
You can request a quote for Prop-2-en-1-yl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-en-1-yl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-en-1-yl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.