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CAS 59774-06-0 2-bromo-1-phenylhexan-1-one molecular structure lightbox
CAS RN: 59774-06-0

2-bromo-1-phenylhexan-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 5g Out of stock 15 business days Inquiry
  • Product code: SSC-168318
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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 59774-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

59774-06-0 / 2-bromo-1-phenylhexan-1-one

Standard CAS: 59774-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59774-06-0
Multi CAS
No
Molecular Formula
C12H15BRO
Molecular Weight
255.150000
Exact Mass
254.030630
InChI
InChI=1S/C12H15BrO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey
MQIJCWVCTPNMKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
63.01
TPSA
17.07

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
4.2
Consensus LogP
3.8
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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