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CAS 413597-67-8 ethyl 1-{[(tert-butyloxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate molecular structure lightbox
CAS RN: 413597-67-8

ethyl 1-{[(tert-butyloxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-149803
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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: ≥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 413597-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

413597-67-8 / ethyl 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate

Standard CAS: 413597-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
413597-67-8
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
InChI
InChI=1S/C12H21NO5/c1-5-17-9(15)12(6-8(14)7-12)13-10(16)18-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKey
YCSWTNOOIHXDLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
63.97
TPSA
84.86

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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