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CAS 51699-89-9 2,6-dibromo-4-methylanisole molecular structure lightbox
CAS RN: 51699-89-9

2,6-dibromo-4-methylanisole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1g In stock Shanghai Inquiry
Batchno.20250330 25g In stock Shandong Inquiry
Batchno.20250320 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-158644
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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: ＞97%
  • 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 51699-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

51699-89-9 / 1,3-dibromo-2-methoxy-5-methylbenzene

Standard CAS: 51699-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51699-89-9
Multi CAS
Yes
Molecular Formula
C8H8BR2O
Molecular Weight
279.960000
Exact Mass
279.892140
InChI
InChI=1S/C8H8Br2O/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4H,1-2H3
InChIKey
IHOLQYYMMKYVLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.13
TPSA
9.23

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.6
Consensus LogP
3.41
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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