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CAS 313480-47-6 N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide molecular structure lightbox
CAS RN: 313480-47-6

N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 5mg / 25mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 100mg In stock Shanghai Inquiry
Batchno.20260522 250mg In stock Shanghai Inquiry
Batchno.20260214 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS313480-47-6
  • Purity/Analytical Methods: >99.0%
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313480-47-6 / N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

Standard CAS: 313480-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
313480-47-6
Multi CAS
Yes
Molecular Formula
C22H18N2OS
Molecular Weight
358.500000
Exact Mass
358.113984
InChI
InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)
InChIKey
GYQWKTIZRYVFEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.59
TPSA
41.99

LogP / Solubility

WLOGP
5.46
MLOGP
4.82
XLogP3
5.2
Consensus LogP
5.16
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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