二氯乙烯酮
TL;DR: 二氯乙烯酮 (CAS 4591-28-0) is a chemical compound with molecular formula C2Cl2O and molecular weight 109.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯乙烯酮
2,2-dichloroethenone
Also Known As: Dichloroketene, dichloroacetyl, Ethenone, dichloro-, dichloroethen-1-one, 2,2-dichloroethenone
| Molecular Formula | C2Cl2O |
|---|---|
| Molecular Weight | 109.93 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.93262 |
| Heavy Atoms | 5 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 4591-28-0 |
|---|---|
| SMILES | C(=C(Cl)Cl)=O |
| InChIKey | TVWWMKZMZALOFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯乙烯酮 (CAS 4591-28-0), with molecular formula C2Cl2O and molecular weight 109.93 g/mol. IUPAC: 2,2-dichloroethenone.
Chemical Property Profile of 二氯乙烯酮
Property Insights of 二氯乙烯酮
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯乙烯酮. With a topological polar surface area (TPSA) of 17.1 Ų, 二氯乙烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯乙烯酮 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 二氯乙烯酮?
The CAS number of 二氯乙烯酮 is 4591-28-0.
What is the molecular formula of 二氯乙烯酮?
The molecular formula of 二氯乙烯酮 is C2Cl2O.
What is the molecular weight of 二氯乙烯酮?
The molecular weight of 二氯乙烯酮 is 109.93 g/mol.
Where can I buy 二氯乙烯酮?
You can request a quote for 二氯乙烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯乙烯酮?
Yes, KEHONG BIO provides custom synthesis services for 二氯乙烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.