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CAS 130200-02-1 7-cyano-3,4-dihydro-2,2-diMethyl-2H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 130200-02-1

7-cyano-3,4-dihydro-2,2-diMethyl-2H-1-benzopyran-4-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 5g Out of stock 15 business days Inquiry
  • Product code: SSC-036880
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130200-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry

130200-02-1 / 2,2-dimethyl-4-oxo-3H-chromene-7-carbonitrile

Standard CAS: 130200-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130200-02-1
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
SMILES
CC1(CC(=O)C2=C(O1)C=C(C=C2)C#N)C
InChI
InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-4-3-8(7-13)5-11(9)15-12/h3-5H,6H2,1-2H3
InChIKey
CDRFBUBCMVKJFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
54.81
TPSA
50.09

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.7
Consensus LogP
2.01
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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