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CAS 206548-14-3 METHYL 2-AMINO-5-BROMO-3-METHYLBENZENECARBOXYLATE molecular structure lightbox
CAS RN: 206548-14-3

METHYL 2-AMINO-5-BROMO-3-METHYLBENZENECARBOXYLATE

  • Product code: SSC-097317
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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, 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 206548-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

206548-14-3 / methyl 2-amino-5-bromo-3-methylbenzoate

Standard CAS: 206548-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206548-14-3
Multi CAS
No
Molecular Formula
C9H10BrNO2
Molecular Weight
244.080000
Exact Mass
242.989490
SMILES
CC1=CC(=CC(=C1N)C(=O)OC)Br
InChI
InChI=1S/C9H10BrNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChIKey
NVJKMGDNYCDLGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.63
TPSA
52.32

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.7
Consensus LogP
2.24
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
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)
-2.7

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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