Propanal, 2-bromo-3,3-dimethoxy-
TL;DR: Propanal, 2-bromo-3,3-dimethoxy- (CAS 59453-00-8) is a chemical compound with molecular formula C5H9BrO3 and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,3-dimethoxypropanal
Also Known As: 2-Bromo-3,3-dimethoxypropanal, Propanal, 2-bromo-3,3-dimethoxy-, 2-Bromo-3,3-dimethoxypropionaldehyde, 2-Brom-3,3-dimethoxy-propionaldehyd, EINECS 261-768-2
| Molecular Formula | C5H9BrO3 |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.97351 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 59453-00-8 |
|---|---|
| SMILES | COC(C(C=O)Br)OC |
| InChIKey | NSKAHUQUMMQTTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanal, 2-bromo-3,3-dimethoxy- (CAS 59453-00-8), with molecular formula C5H9BrO3 and molecular weight 195.97 g/mol. IUPAC: 2-bromo-3,3-dimethoxypropanal.
Chemical Property Profile of Propanal, 2-bromo-3,3-dimethoxy-
Property Insights of Propanal, 2-bromo-3,3-dimethoxy-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanal, 2-bromo-3,3-dimethoxy-. With a topological polar surface area (TPSA) of 35.5 Ų, Propanal, 2-bromo-3,3-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanal, 2-bromo-3,3-dimethoxy- 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 Propanal, 2-bromo-3,3-dimethoxy-?
The CAS number of Propanal, 2-bromo-3,3-dimethoxy- is 59453-00-8.
What is the molecular formula of Propanal, 2-bromo-3,3-dimethoxy-?
The molecular formula of Propanal, 2-bromo-3,3-dimethoxy- is C5H9BrO3.
What is the molecular weight of Propanal, 2-bromo-3,3-dimethoxy-?
The molecular weight of Propanal, 2-bromo-3,3-dimethoxy- is 195.97 g/mol.
Where can I buy Propanal, 2-bromo-3,3-dimethoxy-?
You can request a quote for Propanal, 2-bromo-3,3-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanal, 2-bromo-3,3-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Propanal, 2-bromo-3,3-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.