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CAS 139743-08-1 (2-AMINO-3-NITRO-PHENYL)-METHANOL molecular structure lightbox
CAS RN: 139743-08-1

(2-AMINO-3-NITRO-PHENYL)-METHANOL

  • Product code: SSC-050307
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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, 0.25g, 0.1g, 1g, 10g
  • 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 139743-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

139743-08-1 / (2-amino-3-nitrophenyl)methanol

Standard CAS: 139743-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139743-08-1
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])N)CO
InChI
InChI=1S/C7H8N2O3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-3,10H,4,8H2
InChIKey
KFDXMUKYIMSGDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.43
TPSA
89.39

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

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

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