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CAS 1257982-95-8 9-phenyl-9H-Carbazol-2-amine molecular structure lightbox
CAS RN: 1257982-95-8

9-phenyl-9H-Carbazol-2-amine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1257982-95-8
  • Purity/Analytical Methods: >99.0%
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1257982-95-8 / 9-phenylcarbazol-2-amine

Standard CAS: 1257982-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1257982-95-8
Multi CAS
No
Molecular Formula
C18H14N2
Molecular Weight
258.300000
Exact Mass
258.115698
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N
InChI
InChI=1S/C18H14N2/c19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h1-12H,19H2
InChIKey
RUHPJRFOBUHYIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.19
TPSA
30.95

LogP / Solubility

WLOGP
4.37
MLOGP
3.85
XLogP3
4.3
Consensus LogP
4.17
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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