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CAS 1370034-50-6 4-(4-Dibenzothienyl)benzenamine molecular structure lightbox
CAS RN: 1370034-50-6

4-(4-Dibenzothienyl)benzenamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1370034-50-6
  • Purity/Analytical Methods: >99.0%
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1370034-50-6 / 4-dibenzothiophen-4-ylaniline

Standard CAS: 1370034-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1370034-50-6
Multi CAS
No
Molecular Formula
C18H13NS
Molecular Weight
275.400000
Exact Mass
275.076871
SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=C(C=C4)N
InChI
InChI=1S/C18H13NS/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-11H,19H2
InChIKey
CEQJWKWOLICMQI-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
89.18
TPSA
26.02

LogP / Solubility

WLOGP
5.3
MLOGP
4.68
XLogP3
5.2
Consensus LogP
5.06
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-0.63

Drug-likeness / Medicinal Chemistry

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

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