Methyl 3-chloropropanimidate
TL;DR: Methyl 3-chloropropanimidate (CAS 84762-89-0) is a chemical compound with molecular formula C4H8ClNO and molecular weight 121.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloropropanimidate
Also Known As: methyl 3-chloropropanimidate, methyl3-chloropropanimidate, methyl (1Z)-3-chloropropanimidoate, METHYL 3-CHLOROPROPANECARBOXIMIDATE, 3-chloro-propionimidic acid methyl ester
| Molecular Formula | C4H8ClNO |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 121.02944 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 84762-89-0 |
|---|---|
| SMILES | COC(=N)CCCl |
| InChIKey | XZQHWPYBBMHFPE-UHFFFAOYSA-N |
Product Overview
Methyl 3-chloropropanimidate (CAS 84762-89-0), with molecular formula C4H8ClNO and molecular weight 121.03 g/mol. IUPAC: methyl 3-chloropropanimidate.
Chemical Property Profile of Methyl 3-chloropropanimidate
Property Insights of Methyl 3-chloropropanimidate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloropropanimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl 3-chloropropanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 3-chloropropanimidate?
The CAS number of Methyl 3-chloropropanimidate is 84762-89-0.
What is the molecular formula of Methyl 3-chloropropanimidate?
The molecular formula of Methyl 3-chloropropanimidate is C4H8ClNO.
What is the molecular weight of Methyl 3-chloropropanimidate?
The molecular weight of Methyl 3-chloropropanimidate is 121.03 g/mol.
Where can I buy Methyl 3-chloropropanimidate?
You can request a quote for Methyl 3-chloropropanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloropropanimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloropropanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.