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CAS 1820674-64-3 Methyl 4-Iodo-3-Methoxy-5-Methylbenzoate molecular structure lightbox
CAS RN: 1820674-64-3

Methyl 4-Iodo-3-Methoxy-5-Methylbenzoate

  • Product code: SSC-082872
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • 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 1820674-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 4 In Stock Shanghai Inquiry
0.25g >95% 4 In Stock Beijing Inquiry
1g >95% 4 In Stock Shanghai Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
10g >95% 4 In Stock Shanghai Inquiry

1820674-64-3 / methyl 4-iodo-3-methoxy-5-methylbenzoate

Standard CAS: 1820674-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820674-64-3
Multi CAS
No
Molecular Formula
C10H11IO3
Molecular Weight
306.100000
Exact Mass
305.975290
SMILES
CC1=CC(=CC(=C1I)OC)C(=O)OC
InChI
InChI=1S/C10H11IO3/c1-6-4-7(10(12)14-3)5-8(13-2)9(6)11/h4-5H,1-3H3
InChIKey
FDEWNLSUPDELIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.79
TPSA
35.53

LogP / Solubility

WLOGP
2.39
MLOGP
2.12
XLogP3
2.8
Consensus LogP
2.44
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

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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