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CAS 103448-24-4 2-bromo-4-methyl-5-nitrophenol molecular structure lightbox
CAS RN: 103448-24-4

2-bromo-4-methyl-5-nitrophenol

  • Product code: SSC-004998
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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, 5g, 10g, 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 103448-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

103448-24-4 / 2-bromo-4-methyl-5-nitrophenol

2-Bromo-4-methyl-5-nitrophenol | Phenol, 2-bromo-4-methyl-5-nitro- | MFCD27935372

Standard CAS: 103448-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103448-24-4
Multi CAS
No
Molecular Formula
C7H6BrNO3
Molecular Weight
232.030000
Exact Mass
230.953110
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])O)Br
InChI
InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3
InChIKey
UNDCYNWWVCTFES-UHFFFAOYSA-N
Synonyms
2-Bromo-4-methyl-5-nitrophenol Phenol, 2-bromo-4-methyl-5-nitro- MFCD27935372 SCHEMBL9867327 DTXSID90551859

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
47.2
TPSA
63.37

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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