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CAS 152626-77-2 5-AMINO-2-BROMO-4-METHYLANISOLE molecular structure lightbox
CAS RN: 152626-77-2

5-AMINO-2-BROMO-4-METHYLANISOLE

  • Product code: SSC-062386
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 152626-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

152626-77-2 / 4-bromo-5-methoxy-2-methylaniline

Standard CAS: 152626-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152626-77-2
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CC1=CC(=C(C=C1N)OC)Br
InChI
InChI=1S/C8H10BrNO/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4H,10H2,1-2H3
InChIKey
HCWSMYJWPZRXOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.84
TPSA
35.25

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.37

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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