[email protected]
CAS 53910-13-7 s-Indacene-1,3,5,7(2H,6H)-tetrone molecular structure lightbox
CAS RN: 53910-13-7

s-Indacene-1,3,5,7(2H,6H)-tetrone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53910-13-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

53910-13-7 / s-indacene-1,3,5,7-tetrone

Standard CAS: 53910-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53910-13-7
Multi CAS
No
Molecular Formula
C12H6O4
Molecular Weight
214.170000
Exact Mass
214.026609
InChI
InChI=1S/C12H6O4/c13-9-3-11(15)7-2-8-6(1-5(7)9)10(14)4-12(8)16/h1-2H,3-4H2
InChIKey
IIQAKBNZSYJRLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
53
TPSA
68.28

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us