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CAS 1007596-63-5 benzyl (3S,4S)-4-aMino-3-hydroxypiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1007596-63-5

benzyl (3S,4S)-4-aMino-3-hydroxypiperidine-1-carboxylate

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260316 1g In stock Shanghai Inquiry
Batchno.20250721 5g Out of stock 3-5 business days Inquiry
  • Product code: SSC-001489
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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 1007596-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1007596-63-5 / benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate

(3S,4S)-benzyl 4-amino-3-hydroxypiperidine-1-carboxylate | benzyl (3s,4s)-4-amino-3-hydroxypiperidine-1-carboxylate | trans-1-cbz-4-amino-3-hydroxypiperidine

Standard CAS: 1007596-63-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1007596-63-5
Multi CAS
Yes
Molecular Formula
C13H18N2O3
Molecular Weight
250.290000
Exact Mass
250.131742
SMILES
C1CN(C[C@@H]([C@H]1N)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O3/c14-11-6-7-15(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2/t11-,12-/m0/s1
InChIKey
IRKGMFWANMCSOS-RYUDHWBXSA-N
Synonyms
(3S,4S)-benzyl 4-amino-3-hydroxypiperidine-1-carboxylate benzyl (3s,4s)-4-amino-3-hydroxypiperidine-1-carboxylate trans-1-cbz-4-amino-3-hydroxypiperidine trans-Benzyl 4-amino-3-hydroxypiperidine-1-carboxylate MFCD22518380

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.8
TPSA
75.79

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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