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CAS 1029715-63-6 1-(3-Tetrahydrofuryl)-1H-… molecular structure lightbox
CAS RN: 1029715-63-6

1-(3-Tetrahydrofuryl)-1H-…

  • Product code: SSC-004332
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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: 0.25g, 0.1g, 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 1029715-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1029715-63-6 / 1-(oxolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-(TETRAHYDROFURAN-3-YL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE | 1-(oxolan-3-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | MFCD18383269

Standard CAS: 1029715-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1029715-63-6
Multi CAS
Yes
Molecular Formula
C13H21BN2O3
Molecular Weight
264.130000
Exact Mass
264.164523
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCOC3
InChI
InChI=1S/C13H21BN2O3/c1-12(2)13(3,4)19-14(18-12)10-7-15-16(8-10)11-5-6-17-9-11/h7-8,11H,5-6,9H2,1-4H3
InChIKey
FVBWLIPNYGDMCQ-UHFFFAOYSA-N
Synonyms
1-(TETRAHYDROFURAN-3-YL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE 1-(oxolan-3-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole MFCD18383269 1-(oxolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 1-(3-TETRAHYDROFURYL)-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
72.42
TPSA
45.51

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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