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CAS 1029684-36-3 2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1029684-36-3

2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole-5-boronic acid pinacol ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-004319
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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, 5g, 10g
  • 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 1029684-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

1029684-36-3 / 2-chloro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole

2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole | DTXSID10670576 | 2-Chloro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole

Standard CAS: 1029684-36-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1029684-36-3
Multi CAS
Yes
Molecular Formula
C14H22BClN2O3
Molecular Weight
312.600000
Exact Mass
312.141200
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N2C3CCCCO3)Cl
InChI
InChI=1S/C14H22BClN2O3/c1-13(2)14(3,4)21-15(20-13)10-9-17-12(16)18(10)11-7-5-6-8-19-11/h9,11H,5-8H2,1-4H3
InChIKey
PWGDGTMRINKIRS-UHFFFAOYSA-N
Synonyms
2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole DTXSID10670576 2-Chloro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole RefChem:468465 DTXCID50621325

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
81.79
TPSA
45.51

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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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