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CAS 18014-00-1 dimethyl 2,5-dibromoterephthalate molecular structure lightbox
CAS RN: 18014-00-1

dimethyl 2,5-dibromoterephthalate

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260228 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260121 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251022 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250609 25g In stock Shanghai Inquiry
Batchno.20250201 500g In stock Shanghai Inquiry
Batchno.20260225 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-080509
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18014-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

18014-00-1 / dimethyl 2,5-dibromobenzene-1,4-dicarboxylate

Standard CAS: 18014-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18014-00-1
Multi CAS
No
Molecular Formula
C10H8Br2O4
Molecular Weight
351.980000
Exact Mass
351.876880
SMILES
COC(=O)C1=CC(=C(C=C1Br)C(=O)OC)Br
InChI
InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3
InChIKey
QXAFZEQRMJNPLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.52
TPSA
52.6

LogP / Solubility

WLOGP
2.78
MLOGP
2.47
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

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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