Ethyl 4-chloro-2,2-dimethylpent-4-enoate
TL;DR: Ethyl 4-chloro-2,2-dimethylpent-4-enoate (CAS 118427-36-4) is a chemical compound with molecular formula C9H15ClO2 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2,2-dimethylpent-4-enoate
Also Known As: ethyl 4-chloro-2,2-dimethylpent-4-enoate, 4-CHLORO-2,2-DIMETHYL-4-PENTENOIC ACID ETHYL ESTER, Ethyl4-chloro-2,2-dimethylpent-4-enoate, Ethyl 4-chloro-2,2-dimethyl-pent-4-enoate, ethyl 4-chloro-2,2-dimethyl-4-pentenoate
| Molecular Formula | C9H15ClO2 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 2.7183 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.07605 |
| Heavy Atoms | 12 |
| Complexity | 184.96756 |
Chemical Identifiers
| CAS Number | 118427-36-4 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)CC(=C)Cl |
Product Overview
Ethyl 4-chloro-2,2-dimethylpent-4-enoate (CAS 118427-36-4), with molecular formula C9H15ClO2 and molecular weight 190.08 g/mol. IUPAC: ethyl 4-chloro-2,2-dimethylpent-4-enoate.
Chemical Property Profile of Ethyl 4-chloro-2,2-dimethylpent-4-enoate
Property Insights of Ethyl 4-chloro-2,2-dimethylpent-4-enoate
The XLogP value of 2.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2,2-dimethylpent-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-chloro-2,2-dimethylpent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-2,2-dimethylpent-4-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 Ethyl 4-chloro-2,2-dimethylpent-4-enoate?
The CAS number of Ethyl 4-chloro-2,2-dimethylpent-4-enoate is 118427-36-4.
What is the molecular formula of Ethyl 4-chloro-2,2-dimethylpent-4-enoate?
The molecular formula of Ethyl 4-chloro-2,2-dimethylpent-4-enoate is C9H15ClO2.
What is the molecular weight of Ethyl 4-chloro-2,2-dimethylpent-4-enoate?
The molecular weight of Ethyl 4-chloro-2,2-dimethylpent-4-enoate is 190.08 g/mol.
Where can I buy Ethyl 4-chloro-2,2-dimethylpent-4-enoate?
You can request a quote for Ethyl 4-chloro-2,2-dimethylpent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2,2-dimethylpent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2,2-dimethylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.