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CAS 1493733-00-8 (R)-3-Hydroxy-azepane-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1493733-00-8

(R)-3-Hydroxy-azepane-1-carboxylic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 100mg / 500mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250523 1g In stock Shanghai Inquiry
Batchno.20250424 250mg In stock Shanghai Inquiry
Batchno.20250612 5g In stock Shanghai Inquiry
  • Product code: SSC-059396
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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, 1g, 5g, 10g
  • Available purity: ＞97%
  • 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 1493733-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

1493733-00-8 / tert-butyl (3R)-3-hydroxyazepane-1-carboxylate

Standard CAS: 1493733-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1493733-00-8
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H](C1)O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKey
YLXNIRRSRXUTCK-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.66
TPSA
49.77

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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