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CAS 98660-86-7 5-(Di-p-tolylamino)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 98660-86-7

5-(Di-p-tolylamino)thiophene-2-carbaldehyde

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 100mg In stock Shanghai Inquiry
Batchno.20251010 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250214 1g In stock Shanghai Inquiry
Batchno.20260606 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS98660-86-7
  • Purity/Analytical Methods: >99.0%
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98660-86-7 / 5-(4-methyl-N-(4-methylphenyl)anilino)thiophene-2-carbaldehyde

Standard CAS: 98660-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98660-86-7
Multi CAS
No
Molecular Formula
C19H17NOS
Molecular Weight
307.400000
Exact Mass
307.103085
InChI
InChI=1S/C19H17NOS/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)19-12-11-18(13-21)22-19/h3-13H,1-2H3
InChIKey
KIDANXQJPSEATQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
93.86
TPSA
20.31

LogP / Solubility

WLOGP
5.65
MLOGP
4.98
XLogP3
5.7
Consensus LogP
5.44
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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