![CAS 924871-08-9 (2E)-3-[3-(AMINOSULFONYL)-4-METHOXYPHENYL]ACRYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3432732.gif)
CAS RN: 924871-08-9
(2E)-3-[3-(AMINOSULFONYL)-4-METHOXYPHENYL]ACRYLIC ACID
- Product code: SSC-206163
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 | Hong Kong | Inquiry |
924871-08-9 / (E)-3-(4-methoxy-3-sulfamoylphenyl)prop-2-enoic acid
Basic Information
CAS
924871-08-9
Multi CAS
Yes
Molecular Formula
C10H11NO5S
Molecular Weight
257.270000
Exact Mass
257.035794
InChI
InChI=1S/C10H11NO5S/c1-16-8-4-2-7(3-5-10(12)13)6-9(8)17(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)/b5-3+
InChIKey
FCBAZVFULZYDEN-HWKANZROSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.04
TPSA
106.69
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
0.4
Consensus LogP
0.41
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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