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CAS 2181-04-6 Potassium canrenoate molecular structure lightbox
CAS RN: 2181-04-6

Potassium canrenoate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250619 1g In stock Inquiry
Batchno.20260310 250mg In stock Inquiry
Batchno.20250308 25g In stock Inquiry
Batchno.20260318 5g In stock Inquiry
  • Product code: SSC-105186
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2181-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2181-04-6 / potassium 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

Standard CAS: 2181-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2181-04-6
Multi CAS
No
Molecular Formula
C22H29KO4
Molecular Weight
396.600000
Exact Mass
396.170291
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)[O-])O)C.[K+]
InChI
InChI=1S/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/m1./s1
InChIKey
JTZQCHFUGHIPDF-RYVBEKKQSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.81
TPSA
77.43

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.36
XLogP3
-0.44
Consensus LogP
-0.41
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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