CAS RN: 50668-21-8
9H-Carbazole, 9-ethyl-3-iodo-
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS50668-21-8
- Purity/Analytical Methods: >99.0%
50668-21-8 / 9-ethyl-3-iodocarbazole
Basic Information
CAS
50668-21-8
Multi CAS
No
Molecular Formula
C14H12In
Molecular Weight
321.160000
Exact Mass
321.001450
InChI
InChI=1S/C14H12IN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2H2,1H3
InChIKey
USSDZGUORVTLQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
77.84
TPSA
4.93
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
4.3
Consensus LogP
4.21
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
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
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