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CAS 1780876-37-0 1-(2-((tert-Butoxycarbonyl)amino)ethyl)cyclopropane-1-carboxylic acid molecular structure lightbox
CAS RN: 1780876-37-0

1-(2-((tert-Butoxycarbonyl)amino)ethyl)cyclopropane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-078222
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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
  • 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 1780876-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1780876-37-0 / 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid

Standard CAS: 1780876-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780876-37-0
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)NCCC1(CC1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-6-11(4-5-11)8(13)14/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
GVVWZEQQBDJLRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.16
TPSA
75.63

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.1
Consensus LogP
1.48
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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