![S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate structure](/static/products/6958/6958-73-2.webp)
S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate
TL;DR: S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate (CAS 6958-73-2) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate
Also Known As: 3-benzoylsulfanyl-2-(1,3-dioxoisoindol-2-yl)propanamide, S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate, s-[3-amino-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropyl] benzenecarbothioate
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 6958-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SCC(C(=O)N)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | KALSRAOGIFWXMI-UHFFFAOYSA-N |
Product Overview
S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate (CAS 6958-73-2), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate.
Chemical Property Profile of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate
Property Insights of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate. Following Lipinski's Rule of Five, S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate has 1 hydrogen bond donor(s) and 5 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-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate?
The CAS number of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate is 6958-73-2.
What is the molecular formula of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate?
The molecular formula of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate is C18H14N2O4S.
What is the molecular weight of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate?
The molecular weight of S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate is 354.07 g/mol.
Where can I buy S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate?
You can request a quote for S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[3-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopropyl] benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.