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CAS 3493-10-5 (R)-(3-Amino-3-carboxypropyl)dimethylsulfonium Iodide molecular structure lightbox
CAS RN: 3493-10-5

(R)-(3-Amino-3-carboxypropyl)dimethylsulfonium Iodide

  • Product code: SSC-141627
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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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 3493-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Beijing Inquiry

3493-10-5 / (3-amino-3-carboxypropyl)-dimethylsulfanium iodide

Standard CAS: 3493-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3493-10-5
Multi CAS
Yes
Molecular Formula
C6H14InO2S
Molecular Weight
291.150000
Exact Mass
290.979000
InChI
InChI=1S/C6H13NO2S.HI/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H
InChIKey
YFDARUPBTIEXOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.31
TPSA
63.32

LogP / Solubility

WLOGP
-3.33
MLOGP
-2.92
XLogP3
-3.33
Consensus LogP
-3.19
Log S (ESOL)
0.72
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.73
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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