2-Chloro-3,3-dimethylacrolein
TL;DR: 2-Chloro-3,3-dimethylacrolein (CAS 7364-09-2) is a chemical compound with molecular formula C5H7ClO and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methylbut-2-enal
Also Known As: 2-Chloro-3,3-dimethylacrolein, 2-chloro-3-methylbut-2-enal, 2-Chloro-3-methyl-2-butenal, 2-Butenal, 2-chloro-3-methyl-, 2-Chloro-3-methylcrotonaldehyde
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 7364-09-2 |
|---|---|
| SMILES | CC(=C(C=O)Cl)C |
| InChIKey | CLMLXTRWZUNYOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3,3-dimethylacrolein (CAS 7364-09-2), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: 2-chloro-3-methylbut-2-enal.
Chemical Property Profile of 2-Chloro-3,3-dimethylacrolein
Property Insights of 2-Chloro-3,3-dimethylacrolein
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3,3-dimethylacrolein. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloro-3,3-dimethylacrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3,3-dimethylacrolein has 0 hydrogen bond donor(s) and 1 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-Chloro-3,3-dimethylacrolein?
The CAS number of 2-Chloro-3,3-dimethylacrolein is 7364-09-2.
What is the molecular formula of 2-Chloro-3,3-dimethylacrolein?
The molecular formula of 2-Chloro-3,3-dimethylacrolein is C5H7ClO.
What is the molecular weight of 2-Chloro-3,3-dimethylacrolein?
The molecular weight of 2-Chloro-3,3-dimethylacrolein is 118.02 g/mol.
Where can I buy 2-Chloro-3,3-dimethylacrolein?
You can request a quote for 2-Chloro-3,3-dimethylacrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3,3-dimethylacrolein?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3,3-dimethylacrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.