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CAS 312747-21-0 N-(6-Nitrobenzo[d]thiazol-2-yl) cyclohexane carboxaMide molecular structure lightbox
CAS RN: 312747-21-0

N-(6-Nitrobenzo[d]thiazol-2-yl) cyclohexane carboxaMide

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100mg Out of stock Inquiry
Batchno.20250529 1g Out of stock Inquiry
Batchno.20260510 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS312747-21-0
  • Purity/Analytical Methods: >99.0%
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312747-21-0 / N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

Standard CAS: 312747-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312747-21-0
Multi CAS
Yes
Molecular Formula
C14H15N3O3S
Molecular Weight
305.350000
Exact Mass
305.083413
InChI
InChI=1S/C14H15N3O3S/c18-13(9-4-2-1-3-5-9)16-14-15-11-7-6-10(17(19)20)8-12(11)21-14/h6-9H,1-5H2,(H,15,16,18)
InChIKey
VMAKFFKOZSLHDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.48
TPSA
85.13

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
3.8
Consensus LogP
3.6
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.94

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
2.5

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