[email protected]
CAS 25654-31-3 cannabigerol molecular structure lightbox
CAS RN: 25654-31-3

cannabigerol

  • Product code: SSC-121872
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: ≥95%
  • 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 25654-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

25654-31-3 / 2-(3,7-dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol

Standard CAS: 25654-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25654-31-3
Multi CAS
No
Molecular Formula
C21H32O2
Molecular Weight
316.500000
Exact Mass
316.240230
SMILES
CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O
InChI
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
InChIKey
QXACEHWTBCFNSA-SFQUDFHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.13
TPSA
40.46

LogP / Solubility

WLOGP
6.07
MLOGP
5.35
XLogP3
7.4
Consensus LogP
6.27
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
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)
-0.34

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
2.5

Customers Also Viewed

Get In Touch

Contact Us