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CAS 1047637-17-1 1,4-dimethyl-5-(tributylstannanyl)-1H-1,2,3-triazole molecular structure lightbox
CAS RN: 1047637-17-1

1,4-dimethyl-5-(tributylstannanyl)-1H-1,2,3-triazole

  • Product code: SSC-006493
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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, 0.1g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 1047637-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g ≥95% 1 In Stock Shanghai Inquiry

1047637-17-1 / tributyl-(3,5-dimethyltriazol-4-yl)stannane

1,4-DIMETHYL-5-(TRIBUTYLSTANNYL)-1H-1,2,3-TRIAZOLE | MFCD13190024 | SCHEMBL1529736

Standard CAS: 1047637-17-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1047637-17-1
Multi CAS
Yes
Molecular Formula
C16H33N3Sn
Molecular Weight
386.200000
Exact Mass
387.169651
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(N=NN1C)C
InChI
InChI=1S/C4H6N3.3C4H9.Sn/c1-4-3-7(2)6-5-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKey
AMXAOAHRAINDHZ-UHFFFAOYSA-N
Synonyms
1,4-DIMETHYL-5-(TRIBUTYLSTANNYL)-1H-1,2,3-TRIAZOLE MFCD13190024 SCHEMBL1529736 1,4-dimethyl-5-(tributylstannanyl)-1H-1,2,3-triazole AMXAOAHRAINDHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
90.27
TPSA
30.71

LogP / Solubility

WLOGP
4.18
MLOGP
3.7
XLogP3
4.18
Consensus LogP
4.02
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

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

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