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CAS 1215107-29-1 Cyclopropanecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester molecular structure lightbox
CAS RN: 1215107-29-1

Cyclopropanecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester

  • Product code: SSC-024025
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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, 0.1g, 0.25g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1215107-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry

1215107-29-1 / ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate

Standard CAS: 1215107-29-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1215107-29-1
Multi CAS
No
Molecular Formula
C12H21BO4
Molecular Weight
240.110000
Exact Mass
240.153289
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC2C(=O)OCC
InChI
InChI=1S/C12H21BO4/c1-6-15-10(14)8-7-9(8)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
InChIKey
AAORUCVESAXSRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
64.57
TPSA
44.76

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-2.74

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
2.5

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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