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CAS 20675-51-8 cannabichromene molecular structure lightbox
CAS RN: 20675-51-8

cannabichromene

  • Product code: SSC-097368
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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: 3
  • 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 20675-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

20675-51-8 / 2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

Standard CAS: 20675-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20675-51-8
Multi CAS
No
Molecular Formula
C21H30O2
Molecular Weight
314.500000
Exact Mass
314.224580
SMILES
CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
InChI
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChIKey
UVOLYTDXHDXWJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
98.07
TPSA
29.46

LogP / Solubility

WLOGP
6.04
MLOGP
5.33
XLogP3
6.9
Consensus LogP
6.09
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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