[email protected]
CAS 13433-31-3 1,3,3-Trimethylindolino-8′-methoxybenzopyrylospiran molecular structure lightbox
CAS RN: 13433-31-3

1,3,3-Trimethylindolino-8′-methoxybenzopyrylospiran

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250906 250mg In stock Shanghai Inquiry
Batchno.20250705 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-041940
GET A QUOTE
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: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 13433-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

13433-31-3 / 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

Standard CAS: 13433-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13433-31-3
Multi CAS
No
Molecular Formula
C20H21NO2
Molecular Weight
307.400000
Exact Mass
307.157229
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC=C4)OC)C)C
InChI
InChI=1S/C20H21NO2/c1-19(2)15-9-5-6-10-16(15)21(3)20(19)13-12-14-8-7-11-17(22-4)18(14)23-20/h5-13H,1-4H3
InChIKey
NQVQBIMDDKDYAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
93.26
TPSA
21.7

LogP / Solubility

WLOGP
4.22
MLOGP
3.73
XLogP3
4.9
Consensus LogP
4.28
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us