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CAS 264276-14-4 dimethyl 2,6-dichlorobenzene-1,4-dioate molecular structure lightbox
CAS RN: 264276-14-4

dimethyl 2,6-dichlorobenzene-1,4-dioate

  • Product code: SSC-124159
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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 264276-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

264276-14-4 / dimethyl 2,6-dichlorobenzene-1,4-dicarboxylate

Standard CAS: 264276-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
264276-14-4
Multi CAS
No
Molecular Formula
C10H8Cl2O4
Molecular Weight
263.070000
Exact Mass
261.979964
SMILES
COC(=O)C1=CC(=C(C(=C1)Cl)C(=O)OC)Cl
InChI
InChI=1S/C10H8Cl2O4/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4H,1-2H3
InChIKey
LOKPWGMXOIYCAH-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
59.14
TPSA
52.6

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.9
Consensus LogP
2.58
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.5

Drug-likeness / Medicinal Chemistry

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

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