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CAS 1370008-65-3 2-Cyclopenten-1-one, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure lightbox
CAS RN: 1370008-65-3

2-Cyclopenten-1-one, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

  • Product code: SSC-046512
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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, 25g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 1370008-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Beijing Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
1g >98% 2 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry
10g >98% 1 In Stock Beijing Inquiry
25g >98% 1 In Stock Shenzhen Inquiry

1370008-65-3 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-en-1-one

Standard CAS: 1370008-65-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1370008-65-3
Multi CAS
No
Molecular Formula
C11H17BO3
Molecular Weight
208.060000
Exact Mass
208.127075
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)CC2
InChI
InChI=1S/C11H17BO3/c1-10(2)11(3,4)15-12(14-10)8-5-6-9(13)7-8/h7H,5-6H2,1-4H3
InChIKey
CGTGLMSBJLJNCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.41
TPSA
35.53

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.91
Consensus LogP
1.83
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.64

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
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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