Methyl 3-chloropropanimidate hydrochloride
TL;DR: Methyl 3-chloropropanimidate hydrochloride (CAS 21367-88-4) is a chemical compound with molecular formula C4H9Cl2NO and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloropropanimidate;hydrochloride
Also Known As: methyl 3-chloropropanimidate hydrochloride, methyl 3-chloropropanimidate;hydrochloride, 3-chloropropanimidic acid methyl ester, Methyl 3-chloropropanimidoate hydrochloride, methyl3-chloropropanimidatehydrochloride
| Molecular Formula | C4H9Cl2NO |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | 1.66077 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.00612 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 21367-88-4 |
|---|---|
| SMILES | COC(=N)CCCl.Cl |
| InChIKey | BPRGIMJXESYZCI-UHFFFAOYSA-N |
Product Overview
Methyl 3-chloropropanimidate hydrochloride (CAS 21367-88-4), with molecular formula C4H9Cl2NO and molecular weight 157.01 g/mol. IUPAC: methyl 3-chloropropanimidate;hydrochloride.
Chemical Property Profile of Methyl 3-chloropropanimidate hydrochloride
Property Insights of Methyl 3-chloropropanimidate hydrochloride
The XLogP value of 1.66077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloropropanimidate hydrochloride. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl 3-chloropropanimidate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloropropanimidate hydrochloride has 2 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 hydrochloride?
The CAS number of Methyl 3-chloropropanimidate hydrochloride is 21367-88-4.
What is the molecular formula of Methyl 3-chloropropanimidate hydrochloride?
The molecular formula of Methyl 3-chloropropanimidate hydrochloride is C4H9Cl2NO.
What is the molecular weight of Methyl 3-chloropropanimidate hydrochloride?
The molecular weight of Methyl 3-chloropropanimidate hydrochloride is 157.01 g/mol.
Where can I buy Methyl 3-chloropropanimidate hydrochloride?
You can request a quote for Methyl 3-chloropropanimidate hydrochloride 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 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloropropanimidate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.