Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride
TL;DR: Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride (CAS 39718-75-7) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-methylprop-2-enylamino)phenyl]propanoate;hydrochloride
Also Known As: EINECS 254-603-0, Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride, methyl2-[4-[amino]phenyl]propionatehydrochloride, methyl2-[4-[ amino]phenyl]propionatehydrochloride, methyl 2-[4-[(2-methylallyl)amino]phenyl]propanoate hydrochloride
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 3.3729 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 400.75995 |
Chemical Identifiers
| CAS Number | 39718-75-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)OC.Cl |
Product Overview
Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride (CAS 39718-75-7), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: methyl 2-[4-(2-methylprop-2-enylamino)phenyl]propanoate;hydrochloride.
Chemical Property Profile of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride
Property Insights of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride
The XLogP value of 3.3729 indicates that Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride has 1 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 Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride?
The CAS number of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride is 39718-75-7.
What is the molecular formula of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride?
The molecular formula of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride is C14H20ClNO2.
What is the molecular weight of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride?
The molecular weight of Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride is 269.12 g/mol.
Where can I buy Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride?
You can request a quote for Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate 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-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-((2-methylallyl)amino)phenyl)propionate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.