CAS RN: 55824-09-4

(-Cannabichromeorcin (CRM)

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  • Product code: starshine_CAS55824-09-4
  • Purity/Analytical Methods: >99.0%
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55824-09-4 / 2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-5-ol

Standard CAS: 55824-09-4 Multi CAS: No

Basic Information

CAS
55824-09-4
Multi CAS
No
Molecular Formula
C17H22O2
Molecular Weight
258.350000
Exact Mass
258.161980
InChI
InChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-15(18)10-13(3)11-16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3
InChIKey
VZJBWZFFBJMJSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.58
TPSA
29.46

LogP / Solubility

WLOGP
4.61
MLOGP
4.06
XLogP3
4.8
Consensus LogP
4.49
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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