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CAS 4375-14-8 octahydro-1H-indole molecular structure lightbox
CAS RN: 4375-14-8

octahydro-1H-indole

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250325 100mg Out of stock Inquiry
Batchno.20250220 250mg Out of stock Inquiry
Batchno.20250418 50mg / 250mg / 1g Confirm by inquiry Shanghai, Chongqing 15 business days Inquiry
  • Product code: starshine_CAS4375-14-8
  • Purity/Analytical Methods: >99.0%
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4375-14-8 / 2,3,3a,4,5,6,7,7a-octahydro-1H-indole

Standard CAS: 4375-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4375-14-8
Multi CAS
No
Molecular Formula
C8H15N
Molecular Weight
125.210000
Exact Mass
125.120449
InChI
InChI=1S/C8H15N/c1-2-4-8-7(3-1)5-6-9-8/h7-9H,1-6H2
InChIKey
PDELQDSYLBLPQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.37
TPSA
12.03

LogP / Solubility

WLOGP
1.54
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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