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CAS 1025707-93-0 3,4-DIHYDRO-2H-PYRAN-6-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1025707-93-0

3,4-DIHYDRO-2H-PYRAN-6-BORONIC ACID PINACOL ESTER

  • Product code: SSC-003822
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: >98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1025707-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 0 Out of Stock Hong Kong Inquiry

1025707-93-0 / 2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3,4-DIHYDRO-2H-PYRAN-6-BORONIC ACID PINACOL ESTER | RefChem:486152 | 864-932-7

Standard CAS: 1025707-93-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1025707-93-0
Multi CAS
Yes
Molecular Formula
C11H19BO3
Molecular Weight
210.080000
Exact Mass
210.142725
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCO2
InChI
InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h7H,5-6,8H2,1-4H3
InChIKey
RNRIMDSCBRDPLC-UHFFFAOYSA-N
Synonyms
3,4-DIHYDRO-2H-PYRAN-6-BORONIC ACID PINACOL ESTER RefChem:486152 864-932-7 2-(3,4-Dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane MFCD07368233

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.35
TPSA
27.69

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.36

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] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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