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CAS 58237-86-8 Methyl ((benzyloxycarbonyl)amino)(methoxy)acetate molecular structure lightbox
CAS RN: 58237-86-8

Methyl ((benzyloxycarbonyl)amino)(methoxy)acetate

  • Product code: SSC-166490
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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: 5g
  • 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 58237-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

58237-86-8 / methyl 2-methoxy-2-(phenylmethoxycarbonylamino)acetate

Standard CAS: 58237-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58237-86-8
Multi CAS
Yes
Molecular Formula
C12H15NO5
Molecular Weight
253.250000
Exact Mass
253.095023
InChI
InChI=1S/C12H15NO5/c1-16-10(11(14)17-2)13-12(15)18-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,15)
InChIKey
NNBQAZBSJUATDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.58
TPSA
73.86

LogP / Solubility

WLOGP
1.06
MLOGP
0.94
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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