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CAS 27333-47-7 1,3,3-Trimethylindolinonaphthospirooxazine molecular structure lightbox
CAS RN: 27333-47-7

1,3,3-Trimethylindolinonaphthospirooxazine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250718 10g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250403 1g In stock Tianjin Inquiry
Batchno.20250514 250mg In stock Shanghai Inquiry
Batchno.20251015 25g In stock Chengdu Inquiry
Batchno.20250203 5g In stock Tianjin, Chengdu Inquiry
  • Product code: SSC-126405
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27333-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

27333-47-7 / 1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

Standard CAS: 27333-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27333-47-7
Multi CAS
No
Molecular Formula
C22H20N2O
Molecular Weight
328.400000
Exact Mass
328.157563
SMILES
CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C
InChI
InChI=1S/C22H20N2O/c1-21(2)17-10-6-7-11-18(17)24(3)22(21)14-23-20-16-9-5-4-8-15(16)12-13-19(20)25-22/h4-14H,1-3H3
InChIKey
CQTRKDFIQFOAQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.23
H-bond acceptors
3
Molar refractivity
103.33
TPSA
24.83

LogP / Solubility

WLOGP
5.06
MLOGP
4.47
XLogP3
5.1
Consensus LogP
4.88
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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