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CAS 530084-79-8 8-Benzyloxy-5-((R)-2-broMo-1-hydroxyethyl)-1H-quinolinone molecular structure lightbox
CAS RN: 530084-79-8

8-Benzyloxy-5-((R)-2-broMo-1-hydroxyethyl)-1H-quinolinone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-160192
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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 530084-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

530084-79-8 / 5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one

Standard CAS: 530084-79-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
530084-79-8
Multi CAS
Yes
Molecular Formula
BC18H16O3Rn
Molecular Weight
374.200000
Exact Mass
373.031360
InChI
InChI=1S/C18H16BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,20,22)/t15-/m0/s1
InChIKey
GNFMSZCSSUZAGV-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.1
TPSA
62.32

LogP / Solubility

WLOGP
3.54
MLOGP
3.13
XLogP3
2.7
Consensus LogP
3.12
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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