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CAS 6949-87-7 CIS-HEXAHYDROISOINDOLE HYDROCHLORIDE molecular structure lightbox
CAS RN: 6949-87-7

CIS-HEXAHYDROISOINDOLE HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6949-87-7
  • Purity/Analytical Methods: >99.0%
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6949-87-7 / 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride

Standard CAS: 6949-87-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6949-87-7
Multi CAS
Yes
Molecular Formula
C8H16CLN
Molecular Weight
161.670000
Exact Mass
161.097127
InChI
InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H
InChIKey
CLQIZUYXKFTUEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.57
TPSA
12.03

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.42

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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