![[1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate structure](/static/products/5567/5567-55-5.webp)
[1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate (CAS 5567-55-5) is a chemical compound with molecular formula C19H15ClO3S and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate|1-(4-methylphenyl)-1-oxopropan-2-yl 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H15ClO3S |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 5.29132 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.04303 |
| Heavy Atoms | 24 |
| Complexity | 912.01154 |
Chemical Identifiers
| CAS Number | 5567-55-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
[1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate (CAS 5567-55-5), with molecular formula C19H15ClO3S and molecular weight 358.04 g/mol. IUPAC: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 5.29132 indicates that [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate is 5567-55-5.
What is the molecular formula of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate is C19H15ClO3S.
What is the molecular weight of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate is 358.04 g/mol.
Where can I buy [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.