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CAS 74204-00-5 3-Bromo-5-methylphenol molecular structure lightbox
CAS RN: 74204-00-5

3-Bromo-5-methylphenol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 5g / 25g / 50g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-183638
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 74204-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

74204-00-5 / 3-bromo-5-methylphenol

Standard CAS: 74204-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74204-00-5
Multi CAS
No
Molecular Formula
C7H7BRO
Molecular Weight
187.030000
Exact Mass
185.968030
InChI
InChI=1S/C7H7BrO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3
InChIKey
OTUYBYTUBWJBLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.54
TPSA
20.23

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-2.11

Drug-likeness / Medicinal Chemistry

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

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