CAS RN: 64657-21-2

6-ACETYL-7-DEACETYLFORSKOLIN

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7 package records5 with current stock2 grade groups
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  • Product code: starshine_CAS64657-21-2
  • Purity/Analytical Methods: >99.0%
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64657-21-2 / (3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl) acetate

Standard CAS: 64657-21-2 Multi CAS: Yes

Basic Information

CAS
64657-21-2
Multi CAS
Yes
Molecular Formula
C22H34O7
Molecular Weight
410.500000
Exact Mass
410.230453
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(28-12(2)23)17(26)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey
CLOQVZCSBYBUPB-KGGHGJDLSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
104.85
TPSA
113.29

LogP / Solubility

WLOGP
1.52
MLOGP
1.36
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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