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CAS 511-96-6 (25R)-5ALPHA-SPIROSTAN-2ALPHA,3BETA-DIOL molecular structure lightbox
CAS RN: 511-96-6

(25R)-5ALPHA-SPIROSTAN-2ALPHA,3BETA-DIOL

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100mg In stock Shanghai Inquiry
Batchno.20250223 10mg In stock Shanghai Inquiry
Batchno.20260205 1mg In stock Shanghai Inquiry
Batchno.20260124 25mg In stock Shanghai Inquiry
Batchno.20260630 50mg In stock Shanghai Inquiry
Batchno.20260609 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS511-96-6
  • Purity/Analytical Methods: >99.0%
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511-96-6 / 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol

Standard CAS: 511-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
511-96-6
Multi CAS
Yes
Molecular Formula
C27H44O4
Molecular Weight
432.600000
Exact Mass
432.323960
InChI
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3
InChIKey
FWCXELAAYFYCSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
119.11
TPSA
58.92

LogP / Solubility

WLOGP
4.76
MLOGP
4.22
XLogP3
5.5
Consensus LogP
4.83
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

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)
-1.98

Drug-likeness / Medicinal Chemistry

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

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