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CAS 79722-21-7 tert-Butyl N-(Benzyloxy)carbamate molecular structure lightbox
CAS RN: 79722-21-7

tert-Butyl N-(Benzyloxy)carbamate

  • Product code: SSC-188838
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 1g, 5g, 10g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 79722-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 2 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

79722-21-7 / tert-butyl N-phenylmethoxycarbamate

Standard CAS: 79722-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79722-21-7
Multi CAS
Yes
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKey
MZNBNPWFHGWAGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.6
TPSA
47.56

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.49
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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