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CAS 1208077-89-7 1,3-difluoro-4-iodo-2-methylbenzene molecular structure lightbox
CAS RN: 1208077-89-7

1,3-difluoro-4-iodo-2-methylbenzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250725 1g In stock Tianjin Inquiry
Batchno.20260610 250mg In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-022133
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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 1208077-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1208077-89-7 / 1,3-difluoro-4-iodo-2-methylbenzene

1,3-difluoro-4-iodo-2-methylbenzene | MFCD12922605 | 2,6-Difluoro-3-iodotoluene

Standard CAS: 1208077-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208077-89-7
Multi CAS
No
Molecular Formula
C7H5F2I
Molecular Weight
254.020000
Exact Mass
253.940400
SMILES
CC1=C(C=CC(=C1F)I)F
InChI
InChI=1S/C7H5F2I/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,1H3
InChIKey
PKBVNKUSYAOUAW-UHFFFAOYSA-N
Synonyms
1,3-difluoro-4-iodo-2-methylbenzene MFCD12922605 2,6-Difluoro-3-iodotoluene SCHEMBL5399321 DTXSID501292617

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
43.81
TPSA
0.0000

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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