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CAS 851228-26-7 1-Chloro-2,4-bis(hexyloxy)benzene molecular structure lightbox
CAS RN: 851228-26-7

1-Chloro-2,4-bis(hexyloxy)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-193241
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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 851228-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

851228-26-7 / 1-chloro-2,4-dihexoxybenzene

Standard CAS: 851228-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851228-26-7
Multi CAS
No
Molecular Formula
C18H29CLO2
Molecular Weight
312.900000
Exact Mass
312.185608
InChI
InChI=1S/C18H29ClO2/c1-3-5-7-9-13-20-16-11-12-17(19)18(15-16)21-14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3
InChIKey
DVCXRBBOSKEYRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
90.73
TPSA
18.46

LogP / Solubility

WLOGP
6.26
MLOGP
5.52
XLogP3
7.7
Consensus LogP
6.49
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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