![CAS 130627-09-7 2-Propanone,1-[(2-aminobenzoyl)oxy]-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/130627-09-7.gif)
CAS RN: 130627-09-7
2-Propanone,1-[(2-aminobenzoyl)oxy]-(9CI)
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.20250803 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS130627-09-7
- Purity/Analytical Methods: >99.0%
130627-09-7 / 2-oxopropyl 2-aminobenzoate
Basic Information
CAS
130627-09-7
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
CC(=O)COC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C10H11NO3/c1-7(12)6-14-10(13)8-4-2-3-5-9(8)11/h2-5H,6,11H2,1H3
InChIKey
RHEBHZMLKFWTOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.82
TPSA
69.39
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1.6
Consensus LogP
1.17
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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