3-Bromobut-2-en-2-yl 2-phenylacetate
TL;DR: 3-Bromobut-2-en-2-yl 2-phenylacetate (CAS 81214-87-1) is a chemical compound with molecular formula C12H13BrO2 and molecular weight 268.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobut-2-en-2-yl 2-phenylacetate
Also Known As: 3-Bbyp, 3-Bromo-2-buten-2-yl phenylacetate, 3-bromobut-2-en-2-yl 2-phenylacetate, Benzeneacetic acid,2-bromo-1-methyl-1-propenyl ester, (E)- (9CI)
| Molecular Formula | C12H13BrO2 |
|---|---|
| Molecular Weight | 268.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0099 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 81214-87-1 |
|---|---|
| SMILES | CC(=C(C)Br)OC(=O)CC1=CC=CC=C1 |
| InChIKey | LNVRLHPFTFZXME-UHFFFAOYSA-N |
Product Overview
3-Bromobut-2-en-2-yl 2-phenylacetate (CAS 81214-87-1), with molecular formula C12H13BrO2 and molecular weight 268.01 g/mol. IUPAC: 3-bromobut-2-en-2-yl 2-phenylacetate.
Chemical Property Profile of 3-Bromobut-2-en-2-yl 2-phenylacetate
Property Insights of 3-Bromobut-2-en-2-yl 2-phenylacetate
The XLogP value of 3.3 indicates that 3-Bromobut-2-en-2-yl 2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromobut-2-en-2-yl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobut-2-en-2-yl 2-phenylacetate 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 3-Bromobut-2-en-2-yl 2-phenylacetate?
The CAS number of 3-Bromobut-2-en-2-yl 2-phenylacetate is 81214-87-1.
What is the molecular formula of 3-Bromobut-2-en-2-yl 2-phenylacetate?
The molecular formula of 3-Bromobut-2-en-2-yl 2-phenylacetate is C12H13BrO2.
What is the molecular weight of 3-Bromobut-2-en-2-yl 2-phenylacetate?
The molecular weight of 3-Bromobut-2-en-2-yl 2-phenylacetate is 268.01 g/mol.
Where can I buy 3-Bromobut-2-en-2-yl 2-phenylacetate?
You can request a quote for 3-Bromobut-2-en-2-yl 2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobut-2-en-2-yl 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobut-2-en-2-yl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.