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CAS 52617-37-5 ponicidin molecular structure lightbox
CAS RN: 52617-37-5

ponicidin

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 10mg In stock Shanghai Inquiry
Batchno.20250915 25mg In stock Shanghai Inquiry
Batchno.20260624 50mg In stock Shanghai Inquiry
Batchno.20250926 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS52617-37-5
  • Purity/Analytical Methods: >99.0%
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52617-37-5 / (2S,5S,9R,13R,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one

Standard CAS: 52617-37-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52617-37-5
Multi CAS
Yes
Molecular Formula
C20H26O6
Molecular Weight
362.400000
Exact Mass
362.172939
InChI
InChI=1S/C20H26O6/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)14(23)20(24)19(10,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18?,19-,20+/m0/s1
InChIKey
WHRDRHNMTIXZNY-AMOJAPPFSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.85
H-bond acceptors
6
H-bond donors
3
Molar refractivity
88.44
TPSA
96.22

LogP / Solubility

WLOGP
0.74
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.67
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-4.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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