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CAS 57835-35-5 2-Bromo-4-(2,4,4-trimethylpent-2-yl)phenol molecular structure lightbox
CAS RN: 57835-35-5

2-Bromo-4-(2,4,4-trimethylpent-2-yl)phenol

  • Product code: SSC-166046
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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: 25g
  • 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 57835-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

57835-35-5 / 2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenol

Standard CAS: 57835-35-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57835-35-5
Multi CAS
Yes
Molecular Formula
C14H21BRO
Molecular Weight
285.220000
Exact Mass
284.077580
InChI
InChI=1S/C14H21BrO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9H2,1-5H3
InChIKey
CZNHJPFJMLYYCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.9
TPSA
20.23

LogP / Solubility

WLOGP
4.87
MLOGP
4.29
XLogP3
5.7
Consensus LogP
4.95
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

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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