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CAS 1063734-19-9 TERT-BUTYL 6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 1063734-19-9

TERT-BUTYL 6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 1g Out of stock Inquiry
Batchno.20250819 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 250mg / 500mg / 1g Out of stock 1 business days Inquiry
  • Product code: SSC-008062
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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: 0.1g, 0.25g, 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 1063734-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1063734-19-9 / tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

TERT-BUTYL 6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE | RefChem:894319 | 825-624-8

Standard CAS: 1063734-19-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1063734-19-9
Multi CAS
No
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
SMILES
CC(C)(C)OC(=O)N1CCOCC(C1)CO
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h9,13H,4-8H2,1-3H3
InChIKey
SLJSFXUOECCLPA-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE RefChem:894319 825-624-8 MFCD22573923 4-Boc-6-(hydroxymethyl)-1,4-oxazepane

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
59.2
TPSA
59

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
0.3
Consensus LogP
0.64
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.52

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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