S-1,3-Dioxo-1H-benz<de>isoquinoline-2(3H)-2'-propionic acid structure

S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid

Name: S-1,3-Dioxo-1H-benz<de>isoquinoline-2(3H)-2'-propionic acid
Brand: 科弘生物
SKU: CAS:79444-35-2
Price: Contact for quote USD

TL;DR: S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid (CAS 79444-35-2) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

(2S)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid

Also Known As: BAS 01368964, J2.140.275C, (2S)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid, S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid, (2S)-2-(1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-2-yl)propanoic acid

CAS: 79444-35-2

Molecular Formula	`C15H11NO4`
Molecular Weight	269.07 g/mol
LogP	1.9089
Topological Polar Surface Area	74.68 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	269.06882
Heavy Atoms	20
Complexity	714.8076

Chemical Identifiers

CAS Number	79444-35-2
SMILES	`C[C@@H](C(=O)O)N1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O`

Product Overview

S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid (CAS 79444-35-2), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: (2S)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Chemical Property Profile of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid

XLogP

1.9089

TPSA (Topological Polar Surface Area)

74.68

Hydrogen Bond Donors

Hydrogen Bond Acceptors

Rotatable Bonds

Heavy Atoms

Complexity

714.8076

Exact Mass

269.06882

Monoisotopic Mass

269.06882

Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid

The XLogP value of 1.9089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid. The TPSA of 74.68 Å² falls within the moderate polarity range, balancing permeability and solubility for S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid. Following Lipinski's Rule of Five, S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid 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

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid?

The CAS number of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid is 79444-35-2.

What is the molecular formula of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid?

The molecular formula of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid is C15H11NO4.

What is the molecular weight of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid?

The molecular weight of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid is 269.07 g/mol.

Where can I buy S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid?

You can request a quote for S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid?

Yes, KEHONG BIO provides custom synthesis services for S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid

Chemical Identifiers

Product Overview

Chemical Property Profile of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid

Property Insights of S-1,3-Dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid

Frequently Asked Questions

Frequently Asked Questions

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