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CAS 2098047-42-6 methyl 3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylate hydrochloride molecular structure lightbox
CAS RN: 2098047-42-6

methyl 3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-099665
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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 2098047-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2098047-42-6 / methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-3-carboxylate;hydrochloride

Standard CAS: 2098047-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2098047-42-6
Multi CAS
No
Molecular Formula
C10H19ClN2O4
Molecular Weight
266.720000
Exact Mass
266.103335
SMILES
CC(C)(C)OC(=O)NC1(CNC1)C(=O)OC.Cl
InChI
InChI=1S/C10H18N2O4.ClH/c1-9(2,3)16-8(14)12-10(5-11-6-10)7(13)15-4;/h11H,5-6H2,1-4H3,(H,12,14);1H
InChIKey
SADWGNZRWORJJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.23
TPSA
76.66

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.45
Consensus LogP
0.43
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-4.03

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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