Ethyl 3-chloropropanimidate
TL;DR: Ethyl 3-chloropropanimidate (CAS 21367-89-5) is a chemical compound with molecular formula C5H10ClNO and molecular weight 135.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloropropanimidate
Also Known As: ethyl 3-chloropropanimidate, ethyl 3-chloropropanecarboximidate, ethyl3-chloropropanimidate, ethyl 3-chloropropanimidoate, ethyl 3-chloropropanimidoate hydrochloride
| Molecular Formula | C5H10ClNO |
|---|---|
| Molecular Weight | 135.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 135.04509 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 21367-89-5 |
|---|---|
| SMILES | CCOC(=N)CCCl |
| InChIKey | DAQDWUFXQLBUFD-UHFFFAOYSA-N |
Product Overview
Ethyl 3-chloropropanimidate (CAS 21367-89-5), with molecular formula C5H10ClNO and molecular weight 135.05 g/mol. IUPAC: ethyl 3-chloropropanimidate.
Chemical Property Profile of Ethyl 3-chloropropanimidate
Property Insights of Ethyl 3-chloropropanimidate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloropropanimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl 3-chloropropanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloropropanimidate has 1 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 3-chloropropanimidate?
The CAS number of Ethyl 3-chloropropanimidate is 21367-89-5.
What is the molecular formula of Ethyl 3-chloropropanimidate?
The molecular formula of Ethyl 3-chloropropanimidate is C5H10ClNO.
What is the molecular weight of Ethyl 3-chloropropanimidate?
The molecular weight of Ethyl 3-chloropropanimidate is 135.05 g/mol.
Where can I buy Ethyl 3-chloropropanimidate?
You can request a quote for Ethyl 3-chloropropanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloropropanimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloropropanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.