S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate
TL;DR: S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate (CAS 43226-78-4) is a chemical compound with molecular formula C18H14ClNO3S and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 4-(1,3-dioxoisoindol-2-yl)butanethioate
Also Known As: S-(4-chlorophenyl) 4-(1,3-dioxoisoindol-2-yl)butanethioate, S-(4-chlorophenyl) 4-(1,3-dioxoisoindolin-2-yl)butanethioate, S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate
| Molecular Formula | C18H14ClNO3S |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 4.0351 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0383 |
| Heavy Atoms | 24 |
| Complexity | 769.1661 |
Chemical Identifiers
| CAS Number | 43226-78-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)SC3=CC=C(C=C3)Cl |
Product Overview
S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate (CAS 43226-78-4), with molecular formula C18H14ClNO3S and molecular weight 359.04 g/mol. IUPAC: S-(4-chlorophenyl) 4-(1,3-dioxoisoindol-2-yl)butanethioate.
Chemical Property Profile of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate
Property Insights of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate
The XLogP value of 4.0351 indicates that S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate has 0 hydrogen bond donor(s) and 4 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 S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate?
The CAS number of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate is 43226-78-4.
What is the molecular formula of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate?
The molecular formula of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate is C18H14ClNO3S.
What is the molecular weight of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate?
The molecular weight of S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate is 359.04 g/mol.
Where can I buy S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate?
You can request a quote for S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.