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CAS 2786-00-7 5-IODO-2-METHOXYBENZOIC ACID molecular structure lightbox
CAS RN: 2786-00-7

5-IODO-2-METHOXYBENZOIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1g In stock Shanghai Inquiry
Batchno.20251203 250mg In stock Shanghai Inquiry
Batchno.20250914 5g In stock Shanghai Inquiry
  • Product code: SSC-128257
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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 2786-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2786-00-7 / 5-iodo-2-methoxybenzoic acid

Standard CAS: 2786-00-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2786-00-7
Multi CAS
Yes
Molecular Formula
C8H7IO3
Molecular Weight
278.040000
Exact Mass
277.943990
InChI
InChI=1S/C8H7IO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
FVEBPHMWZVPXQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.67
TPSA
46.53

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-3

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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