2-Propenal, 3,3-dichloro-2-methyl-
TL;DR: 2-Propenal, 3,3-dichloro-2-methyl- (CAS 1561-34-8) is a chemical compound with molecular formula C4H4Cl2O and molecular weight 137.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-2-methylprop-2-enal
Also Known As: 3,3-dichloro-2-methylprop-2-enal, 2-Propenal, 3,3-dichloro-2-methyl-, 3,3-Dichloro-2-methyl-2-propenal, 3,3-Dichlor-2-methylacrolein, 2-methyl-3,3-dichloropropenal
| Molecular Formula | C4H4Cl2O |
|---|---|
| Molecular Weight | 137.96 g/mol |
| LogP | 1.8944 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.96391 |
| Heavy Atoms | 7 |
| Complexity | 102.25742 |
Chemical Identifiers
| CAS Number | 1561-34-8 |
|---|---|
| SMILES | CC(=C(Cl)Cl)C=O |
Product Overview
2-Propenal, 3,3-dichloro-2-methyl- (CAS 1561-34-8), with molecular formula C4H4Cl2O and molecular weight 137.96 g/mol. IUPAC: 3,3-dichloro-2-methylprop-2-enal.
Chemical Property Profile of 2-Propenal, 3,3-dichloro-2-methyl-
Property Insights of 2-Propenal, 3,3-dichloro-2-methyl-
The XLogP value of 1.8944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 3,3-dichloro-2-methyl-. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Propenal, 3,3-dichloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 3,3-dichloro-2-methyl- 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-Propenal, 3,3-dichloro-2-methyl-?
The CAS number of 2-Propenal, 3,3-dichloro-2-methyl- is 1561-34-8.
What is the molecular formula of 2-Propenal, 3,3-dichloro-2-methyl-?
The molecular formula of 2-Propenal, 3,3-dichloro-2-methyl- is C4H4Cl2O.
What is the molecular weight of 2-Propenal, 3,3-dichloro-2-methyl-?
The molecular weight of 2-Propenal, 3,3-dichloro-2-methyl- is 137.96 g/mol.
Where can I buy 2-Propenal, 3,3-dichloro-2-methyl-?
You can request a quote for 2-Propenal, 3,3-dichloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 3,3-dichloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 3,3-dichloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.