![[1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate structure](/static/products/854/854607-63-9.png)
[1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
TL;DR: [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate (CAS 854607-63-9) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
Also Known As: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate|[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.44926 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 786.1765 |
Chemical Identifiers
| CAS Number | 854607-63-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C(=CC=C2)Cl)C)C |
Product Overview
[1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate (CAS 854607-63-9), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate.
Chemical Property Profile of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
Property Insights of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
The XLogP value of 4.44926 indicates that [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate 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 [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
The CAS number of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate is 854607-63-9.
What is the molecular formula of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
The molecular formula of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate is C19H20ClNO3.
What is the molecular weight of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
The molecular weight of [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate is 345.11 g/mol.
Where can I buy [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
You can request a quote for [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-Chloro-2-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.