CAS RN: 1384441-38-6
(S)-N-(2-(1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1384441-38-6
- Purity/Analytical Methods: >99.0%
1384441-38-6 / N-[2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
Basic Information
CAS
1384441-38-6
Multi CAS
No
Molecular Formula
C21H22N2O7S
Molecular Weight
446.500000
Exact Mass
446.114772
SMILES
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)O
InChI
InChI=1S/C21H22N2O7S/c1-4-30-18-10-13(8-9-17(18)25)16(11-31(3,28)29)23-20(26)14-6-5-7-15(22-12(2)24)19(14)21(23)27/h5-10,16,25H,4,11H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKey
PEUJABWEZWJNBO-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
112.97
TPSA
130.08
LogP / Solubility
WLOGP
2.13
MLOGP
1.91
XLogP3
1.5
Consensus LogP
1.85
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.93
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
3
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![CAS 1384535-76-5 (3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1384535-76-5.gif)
![CAS 1384619-23-1 1H-1,3,2-Benzodiazaphosphole, 2,2′-[[(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-, (3aS,3’aS,7aS,7’aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1384619-23-1.gif)
