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CAS 96363-26-7 3-(Boc-aMino)-3-(4-Methoxyphenyl)-1-propanol molecular structure lightbox
CAS RN: 96363-26-7

3-(Boc-aMino)-3-(4-Methoxyphenyl)-1-propanol

  • Product code: SSC-211975
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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: 5g, 1g, 25g, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 96363-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Beijing Inquiry
25g >97% 3 In Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

96363-26-7 / tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate

Standard CAS: 96363-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96363-26-7
Multi CAS
No
Molecular Formula
C15H23NO4
Molecular Weight
281.350000
Exact Mass
281.162708
InChI
InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-10-17)11-5-7-12(19-4)8-6-11/h5-8,13,17H,9-10H2,1-4H3,(H,16,18)
InChIKey
KIILCIAJJCYALF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.81
TPSA
67.79

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
2.1
Consensus LogP
2.36
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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