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CAS 82072-22-8 (3-(BROMOMETHYL)PHENYL)METHANOL molecular structure lightbox
CAS RN: 82072-22-8

(3-(BROMOMETHYL)PHENYL)METHANOL

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260515 10g Out of stock Inquiry
Batchno.20260616 1g In stock Inquiry
Batchno.20251215 250mg In stock Inquiry
Batchno.20251218 5g In stock Inquiry
  • Product code: SSC-190303
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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 82072-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

82072-22-8 / 1-(3-bromophenyl)ethanol

Standard CAS: 82072-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82072-22-8
Multi CAS
Yes
Molecular Formula
C8H9BRO
Molecular Weight
201.060000
Exact Mass
199.983680
InChI
InChI=1S/C8H9BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,5-6H2
InChIKey
JQZKOBFRLUVZLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.78
TPSA
20.23

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.17

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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