2-Propenal, 2-bromo-3-methoxy-
TL;DR: 2-Propenal, 2-bromo-3-methoxy- (CAS 52955-40-5) is a chemical compound with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methoxyprop-2-enal
Also Known As: 2-bromo-3-methoxy-acrolein, 2-bromo-3-methoxy-propenal, 2-Bromo-3-methoxyacrylaldehyde, 2-Propenal, 2-bromo-3-methoxy-, (Z)-2-bromo-3-methoxyprop-2-enal
| Molecular Formula | C4H5BrO2 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.9473 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 52955-40-5 |
|---|---|
| SMILES | COC=C(C=O)Br |
| InChIKey | IKAXVYVALZRMES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenal, 2-bromo-3-methoxy- (CAS 52955-40-5), with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol. IUPAC: 2-bromo-3-methoxyprop-2-enal.
Chemical Property Profile of 2-Propenal, 2-bromo-3-methoxy-
Property Insights of 2-Propenal, 2-bromo-3-methoxy-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 2-bromo-3-methoxy-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenal, 2-bromo-3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 2-bromo-3-methoxy- 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 2-Propenal, 2-bromo-3-methoxy-?
The CAS number of 2-Propenal, 2-bromo-3-methoxy- is 52955-40-5.
What is the molecular formula of 2-Propenal, 2-bromo-3-methoxy-?
The molecular formula of 2-Propenal, 2-bromo-3-methoxy- is C4H5BrO2.
What is the molecular weight of 2-Propenal, 2-bromo-3-methoxy-?
The molecular weight of 2-Propenal, 2-bromo-3-methoxy- is 163.95 g/mol.
Where can I buy 2-Propenal, 2-bromo-3-methoxy-?
You can request a quote for 2-Propenal, 2-bromo-3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 2-bromo-3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 2-bromo-3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.