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CAS 61809-40-3 2-Bromo-5-methoxy-4-methylbenzoic acid molecular structure lightbox
CAS RN: 61809-40-3

2-Bromo-5-methoxy-4-methylbenzoic acid

  • Product code: SSC-170773
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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: >95%
  • Inventory rows with stock: 10
  • 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 61809-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

61809-40-3 / 2-bromo-5-methoxy-4-methylbenzoic acid

Standard CAS: 61809-40-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61809-40-3
Multi CAS
Yes
Molecular Formula
C9H9BRO3
Molecular Weight
245.070000
Exact Mass
243.973510
InChI
InChI=1S/C9H9BrO3/c1-5-3-7(10)6(9(11)12)4-8(5)13-2/h3-4H,1-2H3,(H,11,12)
InChIKey
BFPGCWOVXJFKPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.39
TPSA
46.53

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.47

Drug-likeness / Medicinal Chemistry

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

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