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CAS 70555-53-2 5,7-DIMETHYLINDOLINE molecular structure lightbox
CAS RN: 70555-53-2

5,7-DIMETHYLINDOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70555-53-2
  • Purity/Analytical Methods: >99.0%
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70555-53-2 / 5,7-dimethyl-2,3-dihydro-1H-indole

Standard CAS: 70555-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70555-53-2
Multi CAS
No
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
InChI
InChI=1S/C10H13N/c1-7-5-8(2)10-9(6-7)3-4-11-10/h5-6,11H,3-4H2,1-2H3
InChIKey
BPJPUSULAUOJQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.11
TPSA
12.03

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
2.7
Consensus LogP
2.32
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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