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CAS 116319-25-6 1,4,7,10-Tetrathia-13-azacyclopentadecane molecular structure lightbox
CAS RN: 116319-25-6

1,4,7,10-Tetrathia-13-azacyclopentadecane

  • Product code: SSC-016390
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 116319-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

116319-25-6 / 1,4,7,10-tetrathia-13-azacyclopentadecane

1,4,7,10-Tetrathia-13-azacyclopentadecane | DTXSID60558911 | RefChem:219913

Standard CAS: 116319-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116319-25-6
Multi CAS
No
Molecular Formula
C10H21NS4
Molecular Weight
283.600000
Exact Mass
283.055684
SMILES
C1CSCCSCCSCCSCCN1
InChI
InChI=1S/C10H21NS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKey
SDWWDPMXNIVDMR-UHFFFAOYSA-N
Synonyms
1,4,7,10-Tetrathia-13-azacyclopentadecane DTXSID60558911 RefChem:219913 DTXCID70509691 SCHEMBL15668579

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.17
TPSA
12.03

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.2
Consensus LogP
2.32
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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