CAS RN: 312636-16-1

SKI II

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Batchno.20250324 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
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  • Product code: starshine_CAS312636-16-1
  • Purity/Analytical Methods: >99.0%
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312636-16-1 / 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol

Standard CAS: 312636-16-1 Multi CAS: Yes

Basic Information

CAS
312636-16-1
Multi CAS
Yes
Molecular Formula
C15H11CLN2OS
Molecular Weight
302.800000
Exact Mass
302.028062
InChI
InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKey
ZFGXZJKLOFCECI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.95
TPSA
45.15

LogP / Solubility

WLOGP
4.91
MLOGP
4.34
XLogP3
4.8
Consensus LogP
4.68
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
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
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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