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CAS 355025-24-0 KI16425 molecular structure lightbox
CAS RN: 355025-24-0

KI16425

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7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260405 100mg In stock Shanghai Inquiry
Batchno.20251006 10mg In stock Shanghai Inquiry
Batchno.20251214 1g Out of stock Inquiry
Batchno.20250509 1mg In stock Shanghai Inquiry
Batchno.20260627 250mg Out of stock Inquiry
Batchno.20260322 50mg In stock Shanghai Inquiry
Batchno.20251117 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS355025-24-0
  • Purity/Analytical Methods: >99.0%
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355025-24-0 / 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid

Standard CAS: 355025-24-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
355025-24-0
Multi CAS
Yes
Molecular Formula
C23H23CLN2O5S
Molecular Weight
475.000000
Exact Mass
474.101621
InChI
InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
InChIKey
LLIFMNUXGDHTRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
125.06
TPSA
101.66

LogP / Solubility

WLOGP
6.32
MLOGP
5.6
XLogP3
4.5
Consensus LogP
5.47
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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