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CAS 3780-33-4 2,2-DIMETHYL-CHROMAN-4-ONE molecular structure lightbox
CAS RN: 3780-33-4

2,2-DIMETHYL-CHROMAN-4-ONE

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 1g In stock Inquiry
Batchno.20260605 250mg In stock Inquiry
Batchno.20250730 25g In stock Inquiry
Batchno.20260205 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 100g In stock Shanghai Inquiry
Batchno.20250216 10g In stock Shanghai Inquiry
Batchno.20250208 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260307 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
Batchno.20260401 25g In stock Shanghai Inquiry
Batchno.20260310 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-145245
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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: 5g
  • Available purity: ≥95%
  • 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 3780-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3780-33-4 / 2,2-dimethyl-3H-chromen-4-one

Standard CAS: 3780-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3780-33-4
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
InChI
InChI=1S/C11H12O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6H,7H2,1-2H3
InChIKey
DUTNTKTZIQAPGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
Molar refractivity
50.1
TPSA
26.3

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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