[email protected]
CAS 14542-71-3 2,6-DIBROMO-4-METHOXYTOLUENE, 98+% molecular structure lightbox
CAS RN: 14542-71-3

2,6-DIBROMO-4-METHOXYTOLUENE, 98+%

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260505 1g In stock Inquiry
Batchno.20250818 250mg In stock Inquiry
Batchno.20260206 5g In stock Inquiry
  • Product code: SSC-056740
GET A QUOTE
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
Request Bulk Quote

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 14542-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14542-71-3 / 1,3-dibromo-5-methoxy-2-methylbenzene

Standard CAS: 14542-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14542-71-3
Multi CAS
No
Molecular Formula
C8H8Br2O
Molecular Weight
279.960000
Exact Mass
279.892140
SMILES
CC1=C(C=C(C=C1Br)OC)Br
InChI
InChI=1S/C8H8Br2O/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4H,1-2H3
InChIKey
BZRKRRXRNGVEIZ-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

Customers Also Viewed

Get In Touch

Contact Us