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CAS 911223-23-9 (R)-tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate molecular structure lightbox
CAS RN: 911223-23-9

(R)-tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-203961
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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: ＞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 911223-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

911223-23-9 / tert-butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

Standard CAS: 911223-23-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
911223-23-9
Multi CAS
Yes
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-4-6-15-9(7-12)8-13/h9,13H,4-8H2,1-3H3
InChIKey
WBAQNCJUTMXJTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.25
TPSA
59

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.5
Consensus LogP
0.8
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.18
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)
-3.42

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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