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CAS 75069-59-9 20,24-Dihydroxydammar-25-en-3-one molecular structure lightbox
CAS RN: 75069-59-9

20,24-Dihydroxydammar-25-en-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS75069-59-9
  • Purity/Analytical Methods: >99.0%
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75069-59-9 / (8R,9S,10R,14R,17S)-17-[(2S)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Standard CAS: 75069-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75069-59-9
Multi CAS
Yes
Molecular Formula
C29H48O3
Molecular Weight
444.700000
Exact Mass
444.360345
InChI
InChI=1S/C30H50O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-24,31,33H,1,9-18H2,2-8H3/t20-,21+,22+,23+,24-,27+,28-,29-,30+/m1/s1
InChIKey
WLFYAHQFDJKVSZ-QCIZWGLLSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
130.07
TPSA
57.53

LogP / Solubility

WLOGP
6.32
MLOGP
5.59
XLogP3
6.8
Consensus LogP
6.24
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
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)
-0.95

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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