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CAS 37964-14-0 1h-carbazole-2-carboxylic acid, 2,3,4,9-tetrahydro- molecular structure lightbox
CAS RN: 37964-14-0

1h-carbazole-2-carboxylic acid, 2,3,4,9-tetrahydro-

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Batchno.20250926 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS37964-14-0
  • Purity/Analytical Methods: >99.0%
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37964-14-0 / 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

Standard CAS: 37964-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37964-14-0
Multi CAS
No
Molecular Formula
C13H13NO2
Molecular Weight
215.250000
Exact Mass
215.094629
InChI
InChI=1S/C13H13NO2/c15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-4,8,14H,5-7H2,(H,15,16)
InChIKey
VSIDDKKWZMIYEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
61.45
TPSA
53.09

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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