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CAS 480449-71-6 Edoxaban (TsOH salt) molecular structure lightbox
CAS RN: 480449-71-6

Edoxaban (TsOH salt)

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100mg In stock Shanghai Inquiry
Batchno.20250217 1g Out of stock Inquiry
Batchno.20250320 250mg In stock Shanghai Inquiry
Batchno.20250403 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS480449-71-6
  • Purity/Analytical Methods: >99.0%
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480449-71-6 / N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid

Standard CAS: 480449-71-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480449-71-6
Multi CAS
Yes
Molecular Formula
C31H38CLN7O7S2
Molecular Weight
720.300000
Exact Mass
719.196267
InChI
InChI=1S/C24H30ClN7O4S.C7H8O3S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,9,10)/t13-,15-,17+;/m0./s1
InChIKey
ZLFZITWZOYXXAW-QXXZOGQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
17
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
180.24
TPSA
191

LogP / Solubility

WLOGP
2.53
MLOGP
2.29
XLogP3
2.53
Consensus LogP
2.45
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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