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CAS 1121057-75-7 “1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine hydrochloride” molecular structure lightbox
CAS RN: 1121057-75-7

“1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine hydrochloride”

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250101 10g In stock Inquiry
Batchno.20260103 1g In stock Inquiry
Batchno.20260106 250mg In stock Inquiry
Batchno.20250810 25g In stock Inquiry
Batchno.20250324 5g In stock Inquiry
  • Product code: SSC-012600
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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: 1g, 5g, 0.25g, 10g, 0.1g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 1121057-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
10g >95% 3 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
25g >95% 2 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Beijing Inquiry
500g >95% 1 In Stock Shanghai Inquiry

1121057-75-7 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride

1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride | RefChem:410662 | 878-854-6

Standard CAS: 1121057-75-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1121057-75-7
Multi CAS
Yes
Molecular Formula
C11H21BClNO2
Molecular Weight
245.550000
Exact Mass
245.135387
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCNCC2.Cl
InChI
InChI=1S/C11H20BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h5,13H,6-8H2,1-4H3;1H
InChIKey
WNMYCAJTXUCHBQ-UHFFFAOYSA-N
Synonyms
1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride RefChem:410662 878-854-6 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride MFCD11506076

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.9
TPSA
30.49

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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