CAS RN: 98996-66-8
3-(ACETYLAMINO)-3-(2-FURYL)PROPANOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260701 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS98996-66-8
- Purity/Analytical Methods: >99.0%
98996-66-8 / 3-acetamido-3-(furan-2-yl)propanoic acid
Basic Information
CAS
98996-66-8
Multi CAS
No
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
InChI
InChI=1S/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
InChIKey
QAOLEQUBYVTGKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.52
TPSA
79.54
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
-0.3
Consensus LogP
0.48
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C]QUINOLINE
- CAS RN: 99010-24-9
- Product Code: SSC-212962
-
Imiquimod Related Compound B (25 mg) (1-Isobutyl-1H-imidazo[4,5-c]quinoline 5-oxide)
- CAS RN: 99010-63-6
- Product Code: starshine_CAS99010-63-6
- Purity/Analytical method: >99.0%
-
![CAS 99010-24-9 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C]QUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/99010-24-9.gif)
![CAS 99010-63-6 Imiquimod Related Compound B (25 mg) (1-Isobutyl-1H-imidazo[4,5-c]quinoline 5-oxide) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/99010-63-6.gif)
