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CAS 55050-69-6 (24R)-5α-Dammara-20-ene-3β,24,25-triol molecular structure lightbox
CAS RN: 55050-69-6

(24R)-5α-Dammara-20-ene-3β,24,25-triol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS55050-69-6
  • Purity/Analytical Methods: >99.0%
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55050-69-6 / 6-[(8R,9R,10R,14S,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-6-ene-2,3-diol

Standard CAS: 55050-69-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55050-69-6
Multi CAS
Yes
Molecular Formula
C30H52O3
Molecular Weight
460.700000
Exact Mass
460.391646
InChI
InChI=1S/C30H52O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21?,22?,23-,24?,25?,28+,29+,30-/m1/s1
InChIKey
ASMOUVFUKZIYNJ-LEKJLKAYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
135.68
TPSA
60.69

LogP / Solubility

WLOGP
6.5
MLOGP
5.75
XLogP3
7.7
Consensus LogP
6.65
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-8.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
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)
-0.92

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
7.5

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