![CAS 27333-50-2 5-CHLORO-1,3-DIHYDRO-1,3,3-TRIMETHYLSPIRO[2 H-INDOLE-2,3′-[3 H]NAPHTH[2,1-B][1,4]OXAZINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27333-50-2.gif)
CAS RN: 27333-50-2
5-CHLORO-1,3-DIHYDRO-1,3,3-TRIMETHYLSPIRO[2 H-INDOLE-2,3′-[3 H]NAPHTH[2,1-B][1,4]OXAZINE]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250727 | 100mg | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251028 | 1g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251208 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260407 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250502 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS27333-50-2
- Purity/Analytical Methods: >99.0%
27333-50-2 / 5'-chloro-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
Basic Information
CAS
27333-50-2
Multi CAS
No
Molecular Formula
C22H19ClN2O
Molecular Weight
362.800000
Exact Mass
362.118591
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C
InChI
InChI=1S/C22H19ClN2O/c1-21(2)17-12-15(23)9-10-18(17)25(3)22(21)13-24-20-16-7-5-4-6-14(16)8-11-19(20)26-22/h4-13H,1-3H3
InChIKey
VODQUQTUKIYWSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.23
H-bond acceptors
3
Molar refractivity
108.34
TPSA
24.83
LogP / Solubility
WLOGP
5.71
MLOGP
5.05
XLogP3
5.7
Consensus LogP
5.49
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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