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CAS 252351-95-4 Lucidadiol molecular structure lightbox
CAS RN: 252351-95-4

Lucidadiol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS252351-95-4
  • Purity/Analytical Methods: >99.0%
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252351-95-4 / (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Standard CAS: 252351-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252351-95-4
Multi CAS
No
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
SMILES
C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey
AZPOACUDFJKUHJ-GPEQXWBKSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
134.68
TPSA
57.53

LogP / Solubility

WLOGP
6.63
MLOGP
5.87
XLogP3
6.7
Consensus LogP
6.4
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
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)
-0.8

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
6.5

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