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CAS 16308-14-8 Iodine, bis(acetato-κO)(4-methoxyphenyl)- molecular structure lightbox
CAS RN: 16308-14-8

Iodine, bis(acetato-κO)(4-methoxyphenyl)-

  • Product code: SSC-070703
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 16308-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

16308-14-8 / [acetyloxy-(4-methoxyphenyl)-lambda3-iodanyl] acetate

Standard CAS: 16308-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16308-14-8
Multi CAS
No
Molecular Formula
C11H13IO5
Molecular Weight
352.120000
Exact Mass
351.980770
SMILES
CC(=O)OI(C1=CC=C(C=C1)OC)OC(=O)C
InChI
InChI=1S/C11H13IO5/c1-8(13)16-12(17-9(2)14)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKey
QIAKGIRAVDYCGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
69.24
TPSA
61.83

LogP / Solubility

WLOGP
2.33
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.37
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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