Butyl 2,3-dichloroprop-2-enoate
TL;DR: Butyl 2,3-dichloroprop-2-enoate (CAS 89728-59-6) is a chemical compound with molecular formula C7H10Cl2O2 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,3-dichloroprop-2-enoate
Also Known As: butyl 2,3-dichloroprop-2-enoate, butyl (E)-2,3-dichloroprop-2-enoate
| Molecular Formula | C7H10Cl2O2 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.00578 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 89728-59-6 |
|---|---|
| SMILES | CCCCOC(=O)C(=CCl)Cl |
| InChIKey | CFIABTSJMWEMQD-UHFFFAOYSA-N |
Product Overview
Butyl 2,3-dichloroprop-2-enoate (CAS 89728-59-6), with molecular formula C7H10Cl2O2 and molecular weight 196.01 g/mol. IUPAC: butyl 2,3-dichloroprop-2-enoate.
Chemical Property Profile of Butyl 2,3-dichloroprop-2-enoate
Property Insights of Butyl 2,3-dichloroprop-2-enoate
The XLogP value of 3.1 indicates that Butyl 2,3-dichloroprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,3-dichloroprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,3-dichloroprop-2-enoate has 0 hydrogen bond donor(s) and 2 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 Butyl 2,3-dichloroprop-2-enoate?
The CAS number of Butyl 2,3-dichloroprop-2-enoate is 89728-59-6.
What is the molecular formula of Butyl 2,3-dichloroprop-2-enoate?
The molecular formula of Butyl 2,3-dichloroprop-2-enoate is C7H10Cl2O2.
What is the molecular weight of Butyl 2,3-dichloroprop-2-enoate?
The molecular weight of Butyl 2,3-dichloroprop-2-enoate is 196.01 g/mol.
Where can I buy Butyl 2,3-dichloroprop-2-enoate?
You can request a quote for Butyl 2,3-dichloroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,3-dichloroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,3-dichloroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.