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CAS 39844-86-5 19-Hydroxybufalin molecular structure lightbox
CAS RN: 39844-86-5

19-Hydroxybufalin

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 5mg Out of stock 5-7 business days Inquiry
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Batchno.20250213 5mg Out of stock Inquiry
  • Product code: starshine_CAS39844-86-5
  • Purity/Analytical Methods: >99.0%
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39844-86-5 / 5-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Standard CAS: 39844-86-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39844-86-5
Multi CAS
Yes
Molecular Formula
C24H34O5
Molecular Weight
402.500000
Exact Mass
402.240624
InChI
InChI=1S/C24H34O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13,16-20,25-26,28H,3-4,6-12,14H2,1H3/t16-,17+,18-,19+,20-,22-,23-,24+/m1/s1
InChIKey
AXTYMYOHGWVSQN-KLAFWMLLSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
108.32
TPSA
90.9

LogP / Solubility

WLOGP
3.21
MLOGP
2.85
XLogP3
2
Consensus LogP
2.69
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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