[email protected]
CAS 126085-89-0 3-METHYL-5-(TRIBUTYLSTANNYL)ISOXAZOLE molecular structure lightbox
CAS RN: 126085-89-0

3-METHYL-5-(TRIBUTYLSTANNYL)ISOXAZOLE

  • Product code: SSC-032219
GET A QUOTE
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, 1g, 5g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 126085-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry

126085-89-0 / tributyl-(3-methyl-1,2-oxazol-5-yl)stannane

Standard CAS: 126085-89-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126085-89-0
Multi CAS
No
Molecular Formula
C16H31NOSn
Molecular Weight
372.100000
Exact Mass
373.142767
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C
InChI
InChI=1S/C4H4NO.3C4H9.Sn/c1-4-2-3-6-5-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
YYGNJPDQYSBWPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
85.77
TPSA
26.03

LogP / Solubility

WLOGP
5.04
MLOGP
4.46
XLogP3
5.04
Consensus LogP
4.85
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-1.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us