Ethyl 3-butylimino-2,2-dichloro-propanoate
TL;DR: Ethyl 3-butylimino-2,2-dichloro-propanoate (CAS 7598-59-6) is a chemical compound with molecular formula C9H15Cl2NO2 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-butylimino-2,2-dichloropropanoate
Also Known As: ethyl 3-butylimino-2,2-dichloropropanoate, ETHYL 3-BUTYLIMINO-2,2-DICHLORO-PROPANOATE, Ethyl (3E)-3-(butylimino)-2,2-dichloropropanoate
| Molecular Formula | C9H15Cl2NO2 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.04799 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 7598-59-6 |
|---|---|
| SMILES | CCCCN=CC(C(=O)OCC)(Cl)Cl |
| InChIKey | XMRKEKYCPSNAPK-UHFFFAOYSA-N |
Product Overview
Ethyl 3-butylimino-2,2-dichloro-propanoate (CAS 7598-59-6), with molecular formula C9H15Cl2NO2 and molecular weight 239.05 g/mol. IUPAC: ethyl 3-butylimino-2,2-dichloropropanoate.
Chemical Property Profile of Ethyl 3-butylimino-2,2-dichloro-propanoate
Property Insights of Ethyl 3-butylimino-2,2-dichloro-propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-butylimino-2,2-dichloro-propanoate. With a topological polar surface area (TPSA) of 38.7 Ų, Ethyl 3-butylimino-2,2-dichloro-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-butylimino-2,2-dichloro-propanoate has 0 hydrogen bond donor(s) and 3 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 3-butylimino-2,2-dichloro-propanoate?
The CAS number of Ethyl 3-butylimino-2,2-dichloro-propanoate is 7598-59-6.
What is the molecular formula of Ethyl 3-butylimino-2,2-dichloro-propanoate?
The molecular formula of Ethyl 3-butylimino-2,2-dichloro-propanoate is C9H15Cl2NO2.
What is the molecular weight of Ethyl 3-butylimino-2,2-dichloro-propanoate?
The molecular weight of Ethyl 3-butylimino-2,2-dichloro-propanoate is 239.05 g/mol.
Where can I buy Ethyl 3-butylimino-2,2-dichloro-propanoate?
You can request a quote for Ethyl 3-butylimino-2,2-dichloro-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-butylimino-2,2-dichloro-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-butylimino-2,2-dichloro-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.