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CAS 18693-00-0 4-Hydroxy-5,6,7,8-tetrahydro-2H-chromen-2-one molecular structure lightbox
CAS RN: 18693-00-0

4-Hydroxy-5,6,7,8-tetrahydro-2H-chromen-2-one

  • Product code: SSC-086863
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 18693-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

18693-00-0 / 4-hydroxy-5,6,7,8-tetrahydrochromen-2-one

Standard CAS: 18693-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18693-00-0
Multi CAS
No
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
SMILES
C1CCC2=C(C1)C(=CC(=O)O2)O
InChI
InChI=1S/C9H10O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h5,10H,1-4H2
InChIKey
XLXSLCLJKJVWTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.28
TPSA
50.44

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.86

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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