CAS RN: 23772-61-4
(3Z)-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250906 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS23772-61-4
- Purity/Analytical Methods: >99.0%
23772-61-4 / 3-benzylidene-1H-indol-2-one
Basic Information
CAS
23772-61-4
Multi CAS
No
Molecular Formula
C15H11NO
Molecular Weight
221.250000
Exact Mass
221.084064
SMILES
C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C15H11NO/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-10H,(H,16,17)
InChIKey
SXJAAQOVTDUZPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.38
TPSA
29.1
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
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
-
-
-
-
3,4-DIFLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
- CAS RN: 237761-76-1
- Product Code: SSC-115689
-
-
