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CAS 1610358-53-6 (±)-BAY-1251152 molecular structure lightbox
CAS RN: 1610358-53-6

(±)-BAY-1251152

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250301 100mg Out of stock Inquiry
Batchno.20260607 10mg In stock Shanghai Inquiry
Batchno.20250530 25mg In stock Shanghai Inquiry
Batchno.20250412 2mg In stock Shanghai Inquiry
Batchno.20250322 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1610358-53-6
  • Purity/Analytical Methods: >99.0%
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1610358-53-6 / 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyridin-2-amine

Standard CAS: 1610358-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1610358-53-6
Multi CAS
No
Molecular Formula
C19H18F2N4O2S
Molecular Weight
404.400000
Exact Mass
404.111853
SMILES
COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C
InChI
InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)
InChIKey
YZCUMZWULWOUMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
104.15
TPSA
87.96

LogP / Solubility

WLOGP
4.35
MLOGP
3.85
XLogP3
4.2
Consensus LogP
4.13
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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