[email protected]
CAS 55052-25-0 1-ACETYL-6-ACETOXYL-7-AZAINDOLE molecular structure lightbox
CAS RN: 55052-25-0

1-ACETYL-6-ACETOXYL-7-AZAINDOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55052-25-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55052-25-0 / (1-acetylpyrrolo[2,3-b]pyridin-6-yl) acetate

Standard CAS: 55052-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55052-25-0
Multi CAS
Yes
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
InChI
InChI=1S/C11H10N2O3/c1-7(14)13-6-5-9-3-4-10(12-11(9)13)16-8(2)15/h3-6H,1-2H3
InChIKey
OKBQFZDZVDVOEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
57.34
TPSA
61.19

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us