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CAS 51419-51-3 (7S,15R)-6β,15-Diacetoxy-7α,20-epoxy-7-hydroxykaura-2,16-dien-1-one molecular structure lightbox
CAS RN: 51419-51-3

(7S,15R)-6β,15-Diacetoxy-7α,20-epoxy-7-hydroxykaura-2,16-dien-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS51419-51-3
  • Purity/Analytical Methods: >99.0%
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51419-51-3 / (7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-10-yl) acetate

Standard CAS: 51419-51-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51419-51-3
Multi CAS
Yes
Molecular Formula
C24H30O7
Molecular Weight
430.500000
Exact Mass
430.199153
InChI
InChI=1S/C24H30O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)30-13(2)25)20(31-14(3)26)18(22)21(4,5)9-8-17(22)27/h8-9,15-16,18-20,28H,1,6-7,10-11H2,2-5H3/t15-,16+,18-,19-,20+,22-,23+,24-/m1/s1
InChIKey
VIZWMBLJPXPZSQ-CMJIRCKQSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
108.26
TPSA
99.13

LogP / Solubility

WLOGP
2.32
MLOGP
2.07
XLogP3
1.8
Consensus LogP
2.06
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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
No
Log Kp (skin permeation)
-3.7

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
10

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