![CAS 790270-98-3 [[(3-ACETYLPHENYL)SULFONYL]AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1479850.gif)
CAS RN: 790270-98-3
[[(3-ACETYLPHENYL)SULFONYL]AMINO]ACETIC ACID
- Product code: SSC-188241
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
790270-98-3 / 2-[(3-acetylphenyl)sulfonylamino]acetic acid
Basic Information
CAS
790270-98-3
Multi CAS
No
Molecular Formula
C10H11NO5S
Molecular Weight
257.270000
Exact Mass
257.035794
InChI
InChI=1S/C10H11NO5S/c1-7(12)8-3-2-4-9(5-8)17(15,16)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKey
HINKTCFJKCXJFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.27
TPSA
100.54
LogP / Solubility
WLOGP
0.25
MLOGP
0.23
XLogP3
0.2
Consensus LogP
0.23
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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