2,4-Dichloro-2-butenal
TL;DR: 2,4-Dichloro-2-butenal (CAS 6860-87-3) 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.
(Z)-2,4-dichlorobut-2-enal
Also Known As: 2,4-Dichloro-2-butenal, (Z)-2,4-dichlorobut-2-enal, 2,4-dichlorocrotonaldehyde, 2,4-dichloro-but-2-enal, 2,4-DICHLOROBUT-2-ENAL
| Molecular Formula | C4H4Cl2O |
|---|---|
| Molecular Weight | 137.96 g/mol |
| LogP | 1.5468 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.96391 |
| Heavy Atoms | 7 |
| Complexity | 87.69058 |
Chemical Identifiers
| CAS Number | 6860-87-3 |
|---|---|
| SMILES | C(/C=C(/C=O)\Cl)Cl |
Product Overview
2,4-Dichloro-2-butenal (CAS 6860-87-3), with molecular formula C4H4Cl2O and molecular weight 137.96 g/mol. IUPAC: (Z)-2,4-dichlorobut-2-enal.
Chemical Property Profile of 2,4-Dichloro-2-butenal
Property Insights of 2,4-Dichloro-2-butenal
The XLogP value of 1.5468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-2-butenal. With a topological polar surface area (TPSA) of 17.07 Ų, 2,4-Dichloro-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-2-butenal 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 2,4-Dichloro-2-butenal?
The CAS number of 2,4-Dichloro-2-butenal is 6860-87-3.
What is the molecular formula of 2,4-Dichloro-2-butenal?
The molecular formula of 2,4-Dichloro-2-butenal is C4H4Cl2O.
What is the molecular weight of 2,4-Dichloro-2-butenal?
The molecular weight of 2,4-Dichloro-2-butenal is 137.96 g/mol.
Where can I buy 2,4-Dichloro-2-butenal?
You can request a quote for 2,4-Dichloro-2-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-2-butenal?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.