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CAS 21800-83-9 Ethylgonendione molecular structure lightbox
CAS RN: 21800-83-9

Ethylgonendione

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250523 1g Out of stock 8-10 business days Inquiry
Batchno.20260303 250mg In stock Shanghai Inquiry
  • Product code: SSC-105174
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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: ≥98%
  • 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 21800-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

21800-83-9 / (8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

Standard CAS: 21800-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21800-83-9
Multi CAS
No
Molecular Formula
C19H26O2
Molecular Weight
286.400000
Exact Mass
286.193280
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1
InChIKey
SBLHOJQRZNGHLQ-ATIFRJIPSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
81.72
TPSA
34.14

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
2.8
Consensus LogP
3.5
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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