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CAS 1241537-79-0 Fer and FerT inhibitor molecular structure lightbox
CAS RN: 1241537-79-0

Fer and FerT inhibitor

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 10mg Out of stock Inquiry
Batchno.20260204 1mg Out of stock Inquiry
Batchno.20260108 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
Batchno.20260312 25mg Out of stock Inquiry
Batchno.20260418 5mg Out of stock Inquiry
  • Product code: starshine_CAS1241537-79-0
  • Purity/Analytical Methods: >99.0%
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1241537-79-0 / 2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

Standard CAS: 1241537-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241537-79-0
Multi CAS
No
Molecular Formula
C24H34N6S
Molecular Weight
438.600000
Exact Mass
438.256566
SMILES
CC(C)C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)N4CCC(CC4)CN5CCN(CC5)C
InChI
InChI=1S/C24H34N6S/c1-18(2)20-4-6-21(7-5-20)22-17-30-23(25-22)31-24(26-30)29-10-8-19(9-11-29)16-28-14-12-27(3)13-15-28/h4-7,17-19H,8-16H2,1-3H3
InChIKey
RFHSWNJYHRAOMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
14
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
129.26
TPSA
39.91

LogP / Solubility

WLOGP
4.05
MLOGP
3.59
XLogP3
4.7
Consensus LogP
4.11
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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