Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-
TL;DR: Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- (CAS 99566-44-6) is a chemical compound with molecular formula C19H19BrO2 and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,3R)-2-methyl-1-phenylpent-1-en-3-yl] 4-bromobenzoate
Also Known As: [(E,3R)-2-methyl-1-phenyl-pent-1-en-3-yl] 4-bromobenzoate|[(E,3R)-2-methyl-1-phenylpent-1-en-3-yl] 4-bromobenzoate|Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-
| Molecular Formula | C19H19BrO2 |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 5.488 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.05685 |
| Heavy Atoms | 22 |
| Complexity | 644.8952 |
Chemical Identifiers
| CAS Number | 99566-44-6 |
|---|---|
| SMILES | CC[C@H](/C(=C/C1=CC=CC=C1)/C)OC(=O)C2=CC=C(C=C2)Br |
Product Overview
Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- (CAS 99566-44-6), with molecular formula C19H19BrO2 and molecular weight 358.06 g/mol. IUPAC: [(E,3R)-2-methyl-1-phenylpent-1-en-3-yl] 4-bromobenzoate.
Chemical Property Profile of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-
Property Insights of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-
The XLogP value of 5.488 indicates that Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-?
The CAS number of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- is 99566-44-6.
What is the molecular formula of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-?
The molecular formula of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- is C19H19BrO2.
What is the molecular weight of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-?
The molecular weight of Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- is 358.06 g/mol.
Where can I buy Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-?
You can request a quote for Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-bromo-, 1-ethyl-2-methyl-3-phenyl-2-propenyl ester, (R-(E))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.