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CAS 93623-56-4 8-nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine molecular structure lightbox
CAS RN: 93623-56-4

8-nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS93623-56-4
  • Purity/Analytical Methods: >99.0%
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93623-56-4 / 8-nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

Standard CAS: 93623-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93623-56-4
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
InChI
InChI=1S/C12H14N2O2/c13-11-7-3-1-5-9(7)12(14(15)16)10-6-2-4-8(10)11/h1-6,13H2
InChIKey
UYGZKZDCSRPOSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.56
TPSA
69.16

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.7
Consensus LogP
2.25
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.52

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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