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CAS 2971-17-7 AKOS BB-8817 molecular structure lightbox
CAS RN: 2971-17-7

AKOS BB-8817

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2971-17-7
  • Purity/Analytical Methods: >99.0%
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2971-17-7 / 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid

Standard CAS: 2971-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2971-17-7
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
InChI
InChI=1S/C11H11NO3/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
InChIKey
BFQGSVVUAHHSFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.68
TPSA
66.4

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
0.7
Consensus LogP
1.23
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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