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CAS 180624-10-6 4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester molecular structure lightbox
CAS RN: 180624-10-6

4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100g In stock Shanghai Inquiry
Batchno.20250824 10g In stock Shanghai Inquiry
Batchno.20260115 1g In stock Shanghai Inquiry
Batchno.20260211 25g In stock Shanghai Inquiry
Batchno.20251204 5g In stock Shanghai Inquiry
  • Product code: SSC-081597
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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, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 180624-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 3 In Stock Hong Kong Inquiry
100g ≥97% 2 In Stock Hong Kong Inquiry

180624-10-6 / methyl 4-amino-3-iodo-5-methoxybenzoate

Standard CAS: 180624-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180624-10-6
Multi CAS
No
Molecular Formula
C9H10INO3
Molecular Weight
307.080000
Exact Mass
306.970540
SMILES
COC1=C(C(=CC(=C1)C(=O)OC)I)N
InChI
InChI=1S/C9H10INO3/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4H,11H2,1-2H3
InChIKey
QPFOTRQOKVIZIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.46
TPSA
61.55

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-3.41

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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