![CAS 150374-95-1 N-[2-[[[4-(2,2-Dimethyl-1-oxopropoxy)phenyl]sulfonyl]amino]benzoyl]-(S)-glycine monosodium salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150374-95-1.gif)
CAS RN: 150374-95-1
N-[2-[[[4-(2,2-Dimethyl-1-oxopropoxy)phenyl]sulfonyl]amino]benzoyl]-(S)-glycine monosodium salt
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 10mg / 50mg / 100mg | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS150374-95-1
- Purity/Analytical Methods: >99.0%
150374-95-1 / sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate
Basic Information
CAS
150374-95-1
Multi CAS
No
Molecular Formula
C20H21N2NaO7S
Molecular Weight
456.400000
Exact Mass
456.096716
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
InChI
InChI=1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
InChIKey
ZAIFANJZUGNYCK-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
106.12
TPSA
141.7
LogP / Solubility
WLOGP
-2.08
MLOGP
-1.8
XLogP3
-2.08
Consensus LogP
-1.99
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-6.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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