Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate
TL;DR: Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate (CAS 84298-88-4) is a chemical compound with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-chloro-4-phenylmethoxyphenyl)-2-methylpropanoate
Also Known As: 3-(3-Chloro-4-benzyloxy-phenyl)-2-methyl-propionic acid, methyl ester, Methyl 3-[4-(benzyloxy)-3-chlorophenyl]-2-methylpropanoate, methyl 3-(3-chloro-4-phenylmethoxyphenyl)-2-methylpropanoate, Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate, Methyl 3-chloro-I+/--methyl-4-(phenylmethoxy)benzenepropanoate
| Molecular Formula | C18H19ClO3 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 4.2706 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.10226 |
| Heavy Atoms | 22 |
| Complexity | 625.4843 |
Chemical Identifiers
| CAS Number | 84298-88-4 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)C(=O)OC |
Product Overview
Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate (CAS 84298-88-4), with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol. IUPAC: methyl 3-(3-chloro-4-phenylmethoxyphenyl)-2-methylpropanoate.
Chemical Property Profile of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate
Property Insights of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate
The XLogP value of 4.2706 indicates that Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate has 0 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 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate?
The CAS number of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate is 84298-88-4.
What is the molecular formula of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate?
The molecular formula of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate is C18H19ClO3.
What is the molecular weight of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate?
The molecular weight of Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate is 318.10 g/mol.
Where can I buy Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate?
You can request a quote for Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-alpha-methyl-4-(phenylmethoxy)benzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.