![CAS 1024602-82-1 1-[3-(4-nitrophenyl)-1-oxopropyl]-2-Azetidinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1024602-82-1.gif)
CAS RN: 1024602-82-1
1-[3-(4-nitrophenyl)-1-oxopropyl]-2-Azetidinone
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.20250110 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1024602-82-1
- Purity/Analytical Methods: >99.0%
1024602-82-1 / 1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one
1-(3-(4-nitrophenyl)propanoyl)azetidin-2-one | 1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one | MFCD27635160
Basic Information
CAS
1024602-82-1
Multi CAS
No
Molecular Formula
C12H12N2O4
Molecular Weight
248.230000
Exact Mass
248.079707
SMILES
C1CN(C1=O)C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H12N2O4/c15-11(13-8-7-12(13)16)6-3-9-1-4-10(5-2-9)14(17)18/h1-2,4-5H,3,6-8H2
InChIKey
HPZJDYSWTVWPDA-UHFFFAOYSA-N
Synonyms
1-(3-(4-nitrophenyl)propanoyl)azetidin-2-one
1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one
MFCD27635160
SCHEMBL4400997
BP-22052
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
62.75
TPSA
80.52
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(1R,2R)-methyl 2-aminocyclohexanecarboxylate hydrochloride
- CAS RN: 1024618-29-8
- Product Code: SSC-003732
-
(1-ISOPROPYL-3-OXO-PIPERAZIN-2-YL)-ACETIC ACID
- CAS RN: 1024618-84-5
- Product Code: starshine_CAS1024618-84-5
- Purity/Analytical method: >99.0%
-
6-Bromo-3-methyl-[1,2,3]triazolo[1,5-a]pyridine
- CAS RN: 1024741-92-1
- Product Code: SSC-003736
-
4-BROMO-3-METHYL-[1,2,3]TRIAZOLO[1,5-A]PYRIDINE
- CAS RN: 1024741-95-4
- Product Code: SSC-003737
-
-
![CAS 1024741-92-1 6-Bromo-3-methyl-[1,2,3]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1024741-92-1.gif)
![CAS 1024741-95-4 4-BROMO-3-METHYL-[1,2,3]TRIAZOLO[1,5-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1024741-95-4.gif)
