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CAS 1092938-92-5 4-Methoxycyclohexene-1-boronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 1092938-92-5

4-Methoxycyclohexene-1-boronic Acid Pinacol Ester

  • Product code: SSC-010529
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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
  • 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 1092938-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Beijing Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

1092938-92-5 / 2-(4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Methoxycyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | RefChem:457907 | 958-613-2

Standard CAS: 1092938-92-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092938-92-5
Multi CAS
Yes
Molecular Formula
C13H23BO3
Molecular Weight
238.130000
Exact Mass
238.174025
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)OC
InChI
InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6,11H,7-9H2,1-5H3
InChIKey
PUJKAJRQPDUAFS-UHFFFAOYSA-N
Synonyms
2-(4-Methoxycyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane RefChem:457907 958-613-2 4-Methoxycyclohexene-1-boronic Acid Pinacol Ester MFCD18383325

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.81
TPSA
27.69

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.23

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

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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