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CAS 916903-14-5 1H-Indole, 5-bromo-2,3-dihydro-2-methyl-, (2R)- molecular structure lightbox
CAS RN: 916903-14-5

1H-Indole, 5-bromo-2,3-dihydro-2-methyl-, (2R)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS916903-14-5
  • Purity/Analytical Methods: >99.0%
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916903-14-5 / 5-bromo-2-methyl-2,3-dihydro-1H-indole

Standard CAS: 916903-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
916903-14-5
Multi CAS
Yes
Molecular Formula
BC9H10Rn
Molecular Weight
212.090000
Exact Mass
210.999660
InChI
InChI=1S/C9H10BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m1/s1
InChIKey
NSBOZWGQLGHLQZ-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.93
TPSA
12.03

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
3.1
Consensus LogP
2.79
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.02

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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