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CAS 1256633-22-3 Methyl N-Boc-3-aMinophenylacetate molecular structure lightbox
CAS RN: 1256633-22-3

Methyl N-Boc-3-aMinophenylacetate

  • Product code: SSC-030574
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1256633-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1256633-22-3 / methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetate

Standard CAS: 1256633-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256633-22-3
Multi CAS
No
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)CC(=O)OC
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-11-7-5-6-10(8-11)9-12(16)18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChIKey
MKVJRIRAJCZCQI-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
4
H-bond donors
1
Molar refractivity
72.02
TPSA
64.63

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.3
Consensus LogP
2.49
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.39

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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