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CAS 14078-73-0 5-bromo-4-methoxy-2-methylphenol molecular structure lightbox
CAS RN: 14078-73-0

5-bromo-4-methoxy-2-methylphenol

  • Product code: SSC-051263
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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: 1g
  • Available purity: ≥95%
  • 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 14078-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

14078-73-0 / 5-bromo-4-methoxy-2-methylphenol

Standard CAS: 14078-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14078-73-0
Multi CAS
No
Molecular Formula
C8H9BrO2
Molecular Weight
217.060000
Exact Mass
215.978590
SMILES
CC1=CC(=C(C=C1O)Br)OC
InChI
InChI=1S/C8H9BrO2/c1-5-3-8(11-2)6(9)4-7(5)10/h3-4,10H,1-2H3
InChIKey
HSVSSQZFFVVJOP-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
47.1
TPSA
29.46

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.29

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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