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CAS 18179-39-0 Methyl 4-Iodosalicylate molecular structure lightbox
CAS RN: 18179-39-0

Methyl 4-Iodosalicylate

  • Product code: SSC-082608
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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: ≥98%
  • Inventory rows with stock: 2
  • 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 18179-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

18179-39-0 / methyl 2-hydroxy-4-iodobenzoate

Standard CAS: 18179-39-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18179-39-0
Multi CAS
No
Molecular Formula
C8H7IO3
Molecular Weight
278.040000
Exact Mass
277.943990
SMILES
COC(=O)C1=C(C=C(C=C1)I)O
InChI
InChI=1S/C8H7IO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
InChIKey
WUFUURSWOJROKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.16
TPSA
46.53

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
3
Consensus LogP
2.12
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-3.15

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (10.6%): 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+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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