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CAS 70588-12-4 19alpha-Hydroxyfern-7-ene molecular structure lightbox
CAS RN: 70588-12-4

19alpha-Hydroxyfern-7-ene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS70588-12-4
  • Purity/Analytical Methods: >99.0%
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70588-12-4 / (1R,3R,3aR,5aS,7aS,11aS,11bR,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-1-ol

Standard CAS: 70588-12-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70588-12-4
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
InChI
InChI=1S/C30H50O/c1-19(2)22-18-23(31)25-28(22,6)16-17-29(7)21-10-11-24-26(3,4)13-9-14-27(24,5)20(21)12-15-30(25,29)8/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22+,23+,24-,25+,27+,28+,29+,30-/m0/s1
InChIKey
GYMHSRLMVGFHQS-NCRORLQZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.65
TPSA
20.23

LogP / Solubility

WLOGP
8.02
MLOGP
7.09
XLogP3
9.2
Consensus LogP
8.1
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
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)
0.37

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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