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CAS 362530-16-3 2-(3-bromophenyl)-4-methylpentanoic acid molecular structure lightbox
CAS RN: 362530-16-3

2-(3-bromophenyl)-4-methylpentanoic acid

  • Product code: SSC-143427
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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 362530-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

362530-16-3 / 2-(3-bromophenyl)-4-methylpentanoic acid

Standard CAS: 362530-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
362530-16-3
Multi CAS
No
Molecular Formula
C12H15BRO2
Molecular Weight
271.150000
Exact Mass
270.025540
InChI
InChI=1S/C12H15BrO2/c1-8(2)6-11(12(14)15)9-4-3-5-10(13)7-9/h3-5,7-8,11H,6H2,1-2H3,(H,14,15)
InChIKey
RTNLSQASZHIGDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.97
TPSA
37.3

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.8
Consensus LogP
3.56
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly 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)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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