![CAS 757192-71-5 3-[[(4-ACETYLPHENYL)SULFONYL]AMINO]PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0447340.gif)
CAS RN: 757192-71-5
3-[[(4-ACETYLPHENYL)SULFONYL]AMINO]PROPANOIC ACID
- Product code: SSC-185173
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 | Shenzhen | Inquiry |
757192-71-5 / 3-[(4-acetylphenyl)sulfonylamino]propanoic acid
Basic Information
CAS
757192-71-5
Multi CAS
No
Molecular Formula
C11H13NO5S
Molecular Weight
271.290000
Exact Mass
271.051444
InChI
InChI=1S/C11H13NO5S/c1-8(13)9-2-4-10(5-3-9)18(16,17)12-7-6-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKey
MSLGKCLYKIHMBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.89
TPSA
100.54
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
0.1
Consensus LogP
0.44
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.92
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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