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CAS 122745-36-2 N-(tert-butyloxycarbonyl)-4-(benzyloxy)-2-naphthylamine molecular structure lightbox
CAS RN: 122745-36-2

N-(tert-butyloxycarbonyl)-4-(benzyloxy)-2-naphthylamine

  • Product code: SSC-025927
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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 122745-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

122745-36-2 / tert-butyl N-(4-phenylmethoxynaphthalen-2-yl)carbamate

Standard CAS: 122745-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122745-36-2
Multi CAS
No
Molecular Formula
C22H23NO3
Molecular Weight
349.400000
Exact Mass
349.167794
SMILES
CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C(=C1)OCC3=CC=CC=C3
InChI
InChI=1S/C22H23NO3/c1-22(2,3)26-21(24)23-18-13-17-11-7-8-12-19(17)20(14-18)25-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,23,24)
InChIKey
CGLAYSJSTWPCLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
104.58
TPSA
47.56

LogP / Solubility

WLOGP
5.77
MLOGP
5.09
XLogP3
5.2
Consensus LogP
5.35
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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