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CAS 1370535-33-3 2H-Thiopyran, 3,6-dihydro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dioxide molecular structure lightbox
CAS RN: 1370535-33-3

2H-Thiopyran, 3,6-dihydro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dioxide

  • Product code: SSC-046587
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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, 1g, 10g, 5g
  • 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 1370535-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1370535-33-3 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-thiopyran 1,1-dioxide

Standard CAS: 1370535-33-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1370535-33-3
Multi CAS
No
Molecular Formula
C11H19BO4S
Molecular Weight
258.150000
Exact Mass
258.109710
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCS(=O)(=O)CC2
InChI
InChI=1S/C11H19BO4S/c1-10(2)11(3,4)16-12(15-10)9-5-7-17(13,14)8-6-9/h5H,6-8H2,1-4H3
InChIKey
ALXDCUFWZWEIFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.44
TPSA
52.6

LogP / Solubility

WLOGP
1.36
MLOGP
1.21
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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