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CAS 1241871-28-2 LaxiraceMosin H molecular structure lightbox
CAS RN: 1241871-28-2

LaxiraceMosin H

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1241871-28-2
  • Purity/Analytical Methods: >99.0%
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1241871-28-2 / 3-[(5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyrrole-2,5-dione

Standard CAS: 1241871-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241871-28-2
Multi CAS
No
Molecular Formula
C26H35NO3
Molecular Weight
409.600000
Exact Mass
409.261694
SMILES
C[C@]12CCC(=O)C([C@@H]1CC=C3[C@@H]2CC[C@@]4([C@@]3(CC[C@H]4C5=CC(=O)NC5=O)C)C)(C)C
InChI
InChI=1S/C26H35NO3/c1-23(2)19-7-6-18-17(24(19,3)11-10-20(23)28)9-13-25(4)16(8-12-26(18,25)5)15-14-21(29)27-22(15)30/h6,14,16-17,19H,7-13H2,1-5H3,(H,27,29,30)/t16-,17-,19-,24+,25-,26+/m0/s1
InChIKey
MBOKEBRRTSUMOO-CVRFEKSNSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.21
TPSA
63.24

LogP / Solubility

WLOGP
4.74
MLOGP
4.2
XLogP3
4.5
Consensus LogP
4.48
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

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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