![CAS 855742-23-3 [[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2686761.gif)
CAS RN: 855742-23-3
[[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]AMINO]ACETIC ACID
- Product code: SSC-194019
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
855742-23-3 / 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetic acid
Basic Information
CAS
855742-23-3
Multi CAS
No
Molecular Formula
C7H10N2O5S
Molecular Weight
234.230000
Exact Mass
234.031043
InChI
InChI=1S/C7H10N2O5S/c1-4-7(5(2)14-9-4)15(12,13)8-3-6(10)11/h8H,3H2,1-2H3,(H,10,11)
InChIKey
ABSWQWNBMXYAMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.8
TPSA
109.5
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.3
XLogP3
-0.3
Consensus LogP
-0.32
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-4.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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