CAS RN: 211110-63-3
QRX 431
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251207 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250610 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260408 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260203 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260621 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250320 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250529 | 5mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS211110-63-3
- Purity/Analytical Methods: >99.0%
211110-63-3 / 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Basic Information
CAS
211110-63-3
Multi CAS
No
Molecular Formula
C20H24O4
Molecular Weight
328.400000
Exact Mass
328.167459
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O
InChI
InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChIKey
QNAZTOHXCZPOSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.05
TPSA
66.76
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.9
Consensus LogP
4.26
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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