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CAS 19386-06-2 ETHYL 3-(1-ADAMANTYL)-3-OXOPROPIONATE molecular structure lightbox
CAS RN: 19386-06-2

ETHYL 3-(1-ADAMANTYL)-3-OXOPROPIONATE

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260406 100mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-091562
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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 19386-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

19386-06-2 / ethyl 3-(1-adamantyl)-3-oxopropanoate

Standard CAS: 19386-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19386-06-2
Multi CAS
No
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
SMILES
CCOC(=O)CC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H22O3/c1-2-18-14(17)6-13(16)15-7-10-3-11(8-15)5-12(4-10)9-15/h10-12H,2-9H2,1H3
InChIKey
FOISHGXCIBGQJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
66.86
TPSA
43.37

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6

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