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CAS 1332481-37-4 Methylboronic Acid-d3 molecular structure lightbox
CAS RN: 1332481-37-4

Methylboronic Acid-d3

  • Product code: SSC-039916
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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, 10g, 1g, 5g
  • Available purity: >95%
  • 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 1332481-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
10g >95% 2 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

1332481-37-4 / trideuteriomethylboronic acid

Standard CAS: 1332481-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1332481-37-4
Multi CAS
No
Molecular Formula
CH5BO2
Molecular Weight
62.880000
Exact Mass
63.057090
SMILES
[2H]C([2H])([2H])B(O)O
InChI
InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3/i1D3
InChIKey
KTMKRRPZPWUYKK-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
16.06
TPSA
40.46

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.82
XLogP3
-0.91
Consensus LogP
-0.88
Log S (ESOL)
0.36
Class (ESOL)
Highly soluble
Log S (Ali)
0.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.71
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.73

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

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