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CAS 97113-38-7 5-Iodo-4-methyl-2-nitro-phenylamine molecular structure lightbox
CAS RN: 97113-38-7

5-Iodo-4-methyl-2-nitro-phenylamine

  • Product code: SSC-212215
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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, 10g, 1g, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 97113-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 4 In Stock Hong Kong Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry

97113-38-7 / 5-iodo-4-methyl-2-nitroaniline

Standard CAS: 97113-38-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97113-38-7
Multi CAS
No
Molecular Formula
C7H7In2O2
Molecular Weight
278.050000
Exact Mass
277.955230
InChI
InChI=1S/C7H7IN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3
InChIKey
GGUCZFZAZUDTLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.96
TPSA
69.16

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.6
Consensus LogP
2.18
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

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

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