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CAS 430430-57-2 5,8,11-Trioxa-12-thia-2-azatridecanoic acid, 1,1-dimethylethyl ester, 12,12-dioxide molecular structure lightbox
CAS RN: 430430-57-2

5,8,11-Trioxa-12-thia-2-azatridecanoic acid, 1,1-dimethylethyl ester, 12,12-dioxide

  • Product code: SSC-151351
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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: 0.25g, 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 430430-57-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

430430-57-2 / 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl methanesulfonate

Standard CAS: 430430-57-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
430430-57-2
Multi CAS
No
Molecular Formula
C12H25NO7S
Molecular Weight
327.400000
Exact Mass
327.135173
InChI
InChI=1S/C12H25NO7S/c1-12(2,3)20-11(14)13-5-6-17-7-8-18-9-10-19-21(4,15)16/h5-10H2,1-4H3,(H,13,14)
InChIKey
KZDCXZWVOMGZBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
1
Molar refractivity
76.67
TPSA
100.16

LogP / Solubility

WLOGP
0.52
MLOGP
0.47
XLogP3
0.1
Consensus LogP
0.36
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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