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CAS 99810-76-1 TERT-BUTYLBORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 99810-76-1

TERT-BUTYLBORONIC ACID PINACOL ESTER

  • Product code: SSC-213352
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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, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 99810-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Shanghai Inquiry

99810-76-1 / 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 99810-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99810-76-1
Multi CAS
Yes
Molecular Formula
BC10H21O2
Molecular Weight
184.090000
Exact Mass
184.163460
InChI
InChI=1S/C10H21BO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3
InChIKey
ZQEPUUOQJIWIFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.8
TPSA
18.46

LogP / Solubility

WLOGP
2.88
MLOGP
2.53
XLogP3
2.88
Consensus LogP
2.76
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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