Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester
TL;DR: Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester (CAS 39897-10-4) is a chemical compound with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-3-phenylmethoxypropanoate
Also Known As: Ethyl 3-(benzyloxy)-2-bromopropanoate, ethyl 2-bromo-3-phenylmethoxypropanoate, Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester
| Molecular Formula | C12H15BrO3 |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.02045 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 39897-10-4 |
|---|---|
| SMILES | CCOC(=O)C(COCC1=CC=CC=C1)Br |
| InChIKey | FPEMNHDCFKTXBC-UHFFFAOYSA-N |
Product Overview
Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester (CAS 39897-10-4), with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol. IUPAC: ethyl 2-bromo-3-phenylmethoxypropanoate.
Chemical Property Profile of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester
Property Insights of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester?
The CAS number of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester is 39897-10-4.
What is the molecular formula of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester?
The molecular formula of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester is C12H15BrO3.
What is the molecular weight of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester?
The molecular weight of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester is 286.02 g/mol.
Where can I buy Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester?
You can request a quote for Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.