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CAS 465-39-4 Resibufogenin molecular structure lightbox
CAS RN: 465-39-4

Resibufogenin

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 100mg In stock Shanghai Inquiry
Batchno.20260418 1g In stock Shanghai Inquiry
Batchno.20250807 250mg In stock Shanghai Inquiry
Batchno.20250731 25mg In stock Shanghai Inquiry
Batchno.20250313 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS465-39-4
  • Purity/Analytical Methods: >99.0%
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465-39-4 / 5-[(2S,4R,6R,7R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

Standard CAS: 465-39-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
465-39-4
Multi CAS
Yes
Molecular Formula
C24H32O4
Molecular Weight
384.500000
Exact Mass
384.230060
InChI
InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17?,18?,19-,20-,22+,23-,24-/m1/s1
InChIKey
ATLJNLYIJOCWJE-NEKURZDCSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
104.95
TPSA
62.97

LogP / Solubility

WLOGP
4.26
MLOGP
3.77
XLogP3
3.7
Consensus LogP
3.91
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.04

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
9.5

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