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CAS 81873-08-7 Forskolin J molecular structure lightbox
CAS RN: 81873-08-7

Forskolin J

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Batchno.20251203 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS81873-08-7
  • Purity/Analytical Methods: >99.0%
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81873-08-7 / (5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl) acetate

Standard CAS: 81873-08-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81873-08-7
Multi CAS
Yes
Molecular Formula
C24H36O8
Molecular Weight
452.500000
Exact Mass
452.241018
InChI
InChI=1S/C24H36O8/c1-9-21(6)12-16(28)24(29)22(7)15(27)10-11-20(4,5)18(22)17(30-13(2)25)19(31-14(3)26)23(24,8)32-21/h9,15,17-19,27,29H,1,10-12H2,2-8H3/t15-,17-,18-,19-,21-,22-,23+,24-/m0/s1
InChIKey
ZSBZMJGJWOYRBW-JZLRHMRTSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.79
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
114.39
TPSA
119.36

LogP / Solubility

WLOGP
2.09
MLOGP
1.87
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-4

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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