Acrolein, 3,3-dichloro-2-(dichloromethyl)-
TL;DR: Acrolein, 3,3-dichloro-2-(dichloromethyl)- (CAS 14129-84-1) is a chemical compound with molecular formula C4H2Cl4O and molecular weight 205.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-2-(dichloromethyl)prop-2-enal
Also Known As: Tetrachloroisobutenal, 3,3-dichloro-2-(dichloromethyl)prop-2-enal, Acrolein, 3,3-dichloro-2-(dichloromethyl)-, 2-(Dichloromethyl)-3,3-dichloropropenal, 3,3-Dichloro-2-(dichloromethyl)acrolein
| Molecular Formula | C4H2Cl4O |
|---|---|
| Molecular Weight | 205.89 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.88597 |
| Heavy Atoms | 9 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 14129-84-1 |
|---|---|
| SMILES | C(=O)C(=C(Cl)Cl)C(Cl)Cl |
| InChIKey | VGAPMLASFWCDHB-UHFFFAOYSA-N |
Product Overview
Acrolein, 3,3-dichloro-2-(dichloromethyl)- (CAS 14129-84-1), with molecular formula C4H2Cl4O and molecular weight 205.89 g/mol. IUPAC: 3,3-dichloro-2-(dichloromethyl)prop-2-enal.
Chemical Property Profile of Acrolein, 3,3-dichloro-2-(dichloromethyl)-
Property Insights of Acrolein, 3,3-dichloro-2-(dichloromethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrolein, 3,3-dichloro-2-(dichloromethyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Acrolein, 3,3-dichloro-2-(dichloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrolein, 3,3-dichloro-2-(dichloromethyl)- 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 Acrolein, 3,3-dichloro-2-(dichloromethyl)-?
The CAS number of Acrolein, 3,3-dichloro-2-(dichloromethyl)- is 14129-84-1.
What is the molecular formula of Acrolein, 3,3-dichloro-2-(dichloromethyl)-?
The molecular formula of Acrolein, 3,3-dichloro-2-(dichloromethyl)- is C4H2Cl4O.
What is the molecular weight of Acrolein, 3,3-dichloro-2-(dichloromethyl)-?
The molecular weight of Acrolein, 3,3-dichloro-2-(dichloromethyl)- is 205.89 g/mol.
Where can I buy Acrolein, 3,3-dichloro-2-(dichloromethyl)-?
You can request a quote for Acrolein, 3,3-dichloro-2-(dichloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrolein, 3,3-dichloro-2-(dichloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acrolein, 3,3-dichloro-2-(dichloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.