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CAS 401573-23-7 tert-butyl 4-acetaMidobenzylcarbaMate molecular structure lightbox
CAS RN: 401573-23-7

tert-butyl 4-acetaMidobenzylcarbaMate

  • Product code: SSC-148174
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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: ＞97%
  • 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 401573-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

401573-23-7 / tert-butyl N-[(4-acetamidophenyl)methyl]carbamate

Standard CAS: 401573-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401573-23-7
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
InChI
InChI=1S/C14H20N2O3/c1-10(17)16-12-7-5-11(6-8-12)9-15-13(18)19-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
YPIXOFQNVFLWSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.82
TPSA
67.43

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
1.6
Consensus LogP
2.21
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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