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CAS 321430-41-5 2-AMINO-6-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBONITRILE molecular structure lightbox
CAS RN: 321430-41-5

2-AMINO-6-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBONITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS321430-41-5
  • Purity/Analytical Methods: >99.0%
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321430-41-5 / 2-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Standard CAS: 321430-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321430-41-5
Multi CAS
No
Molecular Formula
C14H10CLF3N4S
Molecular Weight
358.800000
Exact Mass
358.026680
InChI
InChI=1S/C14H10ClF3N4S/c15-10-3-7(14(16,17)18)5-21-13(10)22-2-1-8-9(4-19)12(20)23-11(8)6-22/h3,5H,1-2,6,20H2
InChIKey
JFVWWXWKGBBGQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.45
TPSA
65.94

LogP / Solubility

WLOGP
3.83
MLOGP
3.39
XLogP3
4
Consensus LogP
3.74
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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