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CAS 84100-53-8 ethyl cis-4-amino-3-hydroxypiperidine-1-carboxylate molecular structure lightbox
CAS RN: 84100-53-8

ethyl cis-4-amino-3-hydroxypiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-191690
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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: 0.25g
  • 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 84100-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

84100-53-8 / ethyl 4-amino-3-hydroxypiperidine-1-carboxylate

Standard CAS: 84100-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84100-53-8
Multi CAS
Yes
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
InChI
InChI=1S/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKey
TVTJWRDQBQQKIX-RQJHMYQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.19
TPSA
75.79

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.9
Consensus LogP
-0.59
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very 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)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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