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CAS 268568-11-2 Ethyl 2-amino-5-iodobenzoate molecular structure lightbox
CAS RN: 268568-11-2

Ethyl 2-amino-5-iodobenzoate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260422 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250406 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260221 500g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251118 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-125201
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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: 100g
  • Available purity: ≥97%
  • 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 268568-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

268568-11-2 / ethyl 2-amino-5-iodobenzoate

Standard CAS: 268568-11-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
268568-11-2
Multi CAS
No
Molecular Formula
C9H10INO2
Molecular Weight
291.090000
Exact Mass
290.975630
SMILES
CCOC(=O)C1=C(C=CC(=C1)I)N
InChI
InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChIKey
FPCLHSGOJPEKKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.53
TPSA
52.32

LogP / Solubility

WLOGP
2.05
MLOGP
1.82
XLogP3
2.8
Consensus LogP
2.22
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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