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CAS 104060-23-3 N-Boc-2-(4-aminophenyl)ethanol molecular structure lightbox
CAS RN: 104060-23-3

N-Boc-2-(4-aminophenyl)ethanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-005830
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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: 10g
  • 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 104060-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

104060-23-3 / tert-butyl N-[4-(2-hydroxyethyl)phenyl]carbamate

N-Boc-2-(4-aminophenyl)ethanol | DTXSID10465121 | RefChem:363474

Standard CAS: 104060-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104060-23-3
Multi CAS
Yes
Molecular Formula
C13H19NO3
Molecular Weight
237.290000
Exact Mass
237.136493
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)CCO
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKey
LVAACBVNZRPHFE-UHFFFAOYSA-N
Synonyms
N-Boc-2-(4-aminophenyl)ethanol DTXSID10465121 RefChem:363474 DTXCID70415940 Tert-butyl N-[4-(2-hydroxyethyl)phenyl]carbamate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.09
TPSA
58.56

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.34

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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