CAS RN: 918348-67-1
XL-652
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS918348-67-1
- Purity/Analytical Methods: >99.0%
918348-67-1 / 2-[2-[2-(2-chlorophenyl)propan-2-yl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
Basic Information
CAS
918348-67-1
Multi CAS
No
Molecular Formula
C28H29CLN2O3S
Molecular Weight
509.100000
Exact Mass
508.158742
InChI
InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3
InChIKey
JLPURTXCSILYLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
140.93
TPSA
72.19
LogP / Solubility
WLOGP
6.15
MLOGP
5.45
XLogP3
5.7
Consensus LogP
5.77
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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