Methyl 2-methylpropanecarboximidate hydrochloride
TL;DR: Methyl 2-methylpropanecarboximidate hydrochloride (CAS 41796-01-4) is a chemical compound with molecular formula C5H12ClNO and molecular weight 137.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylpropanimidate;hydrochloride
Also Known As: methyl isobutyrimidate hydrochloride, Fmoc-3-iodo-L-tyrosine, methyl 2-methylpropanimidate;hydrochloride, Methyl isobutyrimidate HCl, methyl 2-methylpropanimidoate hcl
| Molecular Formula | C5H12ClNO |
|---|---|
| Molecular Weight | 137.06 g/mol |
| LogP | 1.68787 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.06075 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 41796-01-4 |
|---|---|
| SMILES | CC(C)C(=N)OC.Cl |
| InChIKey | RMXGPHAHPIIESQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylpropanecarboximidate hydrochloride (CAS 41796-01-4), with molecular formula C5H12ClNO and molecular weight 137.06 g/mol. IUPAC: methyl 2-methylpropanimidate;hydrochloride.
Chemical Property Profile of Methyl 2-methylpropanecarboximidate hydrochloride
Property Insights of Methyl 2-methylpropanecarboximidate hydrochloride
The XLogP value of 1.68787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methylpropanecarboximidate hydrochloride. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl 2-methylpropanecarboximidate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylpropanecarboximidate 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 2-methylpropanecarboximidate hydrochloride?
The CAS number of Methyl 2-methylpropanecarboximidate hydrochloride is 41796-01-4.
What is the molecular formula of Methyl 2-methylpropanecarboximidate hydrochloride?
The molecular formula of Methyl 2-methylpropanecarboximidate hydrochloride is C5H12ClNO.
What is the molecular weight of Methyl 2-methylpropanecarboximidate hydrochloride?
The molecular weight of Methyl 2-methylpropanecarboximidate hydrochloride is 137.06 g/mol.
Where can I buy Methyl 2-methylpropanecarboximidate hydrochloride?
You can request a quote for Methyl 2-methylpropanecarboximidate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methylpropanecarboximidate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylpropanecarboximidate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.