[email protected]
CAS 7313-70-4 2,3-dioxoindoline-5-sulphonic acid molecular structure lightbox
CAS RN: 7313-70-4

2,3-dioxoindoline-5-sulphonic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS7313-70-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7313-70-4 / 2,3-dioxo-1H-indole-5-sulfonic acid

Standard CAS: 7313-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7313-70-4
Multi CAS
No
Molecular Formula
C8H5NO5S
Molecular Weight
227.200000
Exact Mass
226.988843
InChI
InChI=1S/C8H5NO5S/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11/h1-3H,(H,9,10,11)(H,12,13,14)
InChIKey
UBHYCFBVIXOJJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.22
TPSA
100.54

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.6
Consensus LogP
-0.16
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us