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CAS 19942-04-2 (20S,24S)-20,24-Epoxydammarane-3β,25-diol molecular structure lightbox
CAS RN: 19942-04-2

(20S,24S)-20,24-Epoxydammarane-3β,25-diol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS19942-04-2
  • Purity/Analytical Methods: >99.0%
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19942-04-2 / (3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 19942-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19942-04-2
Multi CAS
No
Molecular Formula
C30H52O3
Molecular Weight
460.700000
Exact Mass
460.391646
SMILES
C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C
InChI
InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey
RQBNSDSKUAGBOI-VVGBCXFDSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
133.81
TPSA
49.69

LogP / Solubility

WLOGP
6.74
MLOGP
5.96
XLogP3
7.2
Consensus LogP
6.63
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
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)
-0.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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