CAS RN: 299438-56-5

4-(9H-FLUOREN-2-YL)-1,3-THIAZOL-2-AMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS299438-56-5
  • Purity/Analytical Methods: >99.0%
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299438-56-5 / 4-(9H-fluoren-2-yl)-1,3-thiazol-2-amine

Standard CAS: 299438-56-5 Multi CAS: No

Basic Information

CAS
299438-56-5
Multi CAS
No
Molecular Formula
C16H12N2S
Molecular Weight
264.300000
Exact Mass
264.072120
InChI
InChI=1S/C16H12N2S/c17-16-18-15(9-19-16)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8-9H,7H2,(H2,17,18)
InChIKey
ILZSNYCMULKIOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.2
TPSA
38.91

LogP / Solubility

WLOGP
3.96
MLOGP
3.5
XLogP3
3.9
Consensus LogP
3.79
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.52

Drug-likeness / Medicinal Chemistry

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

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