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CAS 145103-37-3 Filicenol B molecular structure lightbox
CAS RN: 145103-37-3

Filicenol B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS145103-37-3
  • Purity/Analytical Methods: >99.0%
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145103-37-3 / [(3R,3aR,5aR,5bR,7aS,11aR,11bR,13aS,13bR)-3a,5a,7a,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-11b-yl]methanol

Standard CAS: 145103-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145103-37-3
Multi CAS
No
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
SMILES
CC1=CCC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@]5([C@H]4CC[C@@H]5C(C)C)C)C)C)CO)C
InChI
InChI=1S/C30H50O/c1-20(2)22-11-12-23-27(22,5)15-16-29(7)25-13-14-26(4)21(3)9-8-10-24(26)30(25,19-31)18-17-28(23,29)6/h9,20,22-25,31H,8,10-19H2,1-7H3/t22-,23-,24-,25-,26-,27-,28+,29-,30-/m1/s1
InChIKey
BBMOJJIXVZRNCE-PVJFAIIUSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.67
TPSA
20.23

LogP / Solubility

WLOGP
8.03
MLOGP
7.09
XLogP3
9.2
Consensus LogP
8.11
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
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
Yes
Log Kp (skin permeation)
0.38

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
8

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