![CAS 592542-59-1 (2-METHOXY-5-[2-(2,4,6-TRIMETHOXY-PHENYL)-ETHENESULFONYLMETHYL]-PHENYLAMINO)-ACETIC ACID, SODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/592542-59-1.gif)
CAS RN: 592542-59-1
(2-METHOXY-5-[2-(2,4,6-TRIMETHOXY-PHENYL)-ETHENESULFONYLMETHYL]-PHENYLAMINO)-ACETIC ACID, SODIUM SALT
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251210 | 100mg | Out of stock | Inquiry | |
| Batchno.20250607 | 10mg | Out of stock | Inquiry | |
| Batchno.20250726 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260328 | 250mg | Out of stock | Inquiry | |
| Batchno.20250829 | 25mg | Out of stock | Inquiry | |
| Batchno.20260130 | 50mg | Out of stock | Inquiry | |
| Batchno.20251027 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS592542-59-1
- Purity/Analytical Methods: >99.0%
592542-59-1 / 2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
Basic Information
CAS
592542-59-1
Multi CAS
Yes
Molecular Formula
C21H25NO8S
Molecular Weight
451.500000
Exact Mass
451.130088
InChI
InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+
InChIKey
OWBFCJROIKNMGD-BQYQJAHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
2
Molar refractivity
116.88
TPSA
120.39
LogP / Solubility
WLOGP
2.8
MLOGP
2.5
XLogP3
2.5
Consensus LogP
2.6
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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