dimethyl (E)-3-chloropent-2-enedioate
TL;DR: dimethyl (E)-3-chloropent-2-enedioate (CAS 66016-87-3) is a chemical compound with molecular formula C7H9ClO4 and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-3-chloropent-2-enedioate
Also Known As: Dimethyl 3-chloropent-2-enedioate, dimethyl (E)-3-chloropent-2-enedioate
| Molecular Formula | C7H9ClO4 |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 0.8452 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.01894 |
| Heavy Atoms | 12 |
| Complexity | 209.45192 |
Chemical Identifiers
| CAS Number | 66016-87-3 |
|---|---|
| SMILES | COC(=O)C/C(=C\C(=O)OC)/Cl |
Product Overview
dimethyl (E)-3-chloropent-2-enedioate (CAS 66016-87-3), with molecular formula C7H9ClO4 and molecular weight 192.02 g/mol. IUPAC: dimethyl (E)-3-chloropent-2-enedioate.
Chemical Property Profile of dimethyl (E)-3-chloropent-2-enedioate
Property Insights of dimethyl (E)-3-chloropent-2-enedioate
The XLogP value of 0.8452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (E)-3-chloropent-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (E)-3-chloropent-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (E)-3-chloropent-2-enedioate has 0 hydrogen bond donor(s) and 4 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 dimethyl (E)-3-chloropent-2-enedioate?
The CAS number of dimethyl (E)-3-chloropent-2-enedioate is 66016-87-3.
What is the molecular formula of dimethyl (E)-3-chloropent-2-enedioate?
The molecular formula of dimethyl (E)-3-chloropent-2-enedioate is C7H9ClO4.
What is the molecular weight of dimethyl (E)-3-chloropent-2-enedioate?
The molecular weight of dimethyl (E)-3-chloropent-2-enedioate is 192.02 g/mol.
Where can I buy dimethyl (E)-3-chloropent-2-enedioate?
You can request a quote for dimethyl (E)-3-chloropent-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (E)-3-chloropent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (E)-3-chloropent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.