CAS RN: 341498-89-3
PNU-248686A
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS341498-89-3
- Purity/Analytical Methods: >99.0%
341498-89-3 / sodium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-phenylsulfanylpropanoate
Basic Information
CAS
341498-89-3
Multi CAS
Yes
Molecular Formula
C22H18CLNAO5S2
Molecular Weight
485.000000
Exact Mass
484.018188
InChI
InChI=1S/C22H19ClO5S2.Na/c23-18-10-6-16(7-11-18)17-8-12-20(13-9-17)30(27,28)15-22(26,21(24)25)14-29-19-4-2-1-3-5-19;/h1-13,26H,14-15H2,(H,24,25);/t22-;/m1./s1
InChIKey
YQPKCDPUTCALSX-VZYDHVRKSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
116.06
TPSA
94.5
LogP / Solubility
WLOGP
0.06
MLOGP
0.09
XLogP3
0.06
Consensus LogP
0.07
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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