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CAS 14149-58-7 BORIC ACID-D3 molecular structure lightbox
CAS RN: 14149-58-7

BORIC ACID-D3

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Batchno.20250721 250mg In stock Inquiry
  • Product code: starshine_CAS14149-58-7
  • Purity/Analytical Methods: >99.0%
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14149-58-7 / trideuterio borate

Standard CAS: 14149-58-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14149-58-7
Multi CAS
No
Molecular Formula
BH3O3
Molecular Weight
64.850000
Exact Mass
65.036354
SMILES
[2H]OB(O[2H])O[2H]
InChI
InChI=1S/BH3O3/c2-1(3)4/h2-4H/i2D,3D,4D
InChIKey
KGBXLFKZBHKPEV-NRUYWUNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
12.41
TPSA
60.69

LogP / Solubility

WLOGP
-2.05
MLOGP
-1.82
XLogP3
-2.05
Consensus LogP
-1.97
Log S (ESOL)
1.07
Class (ESOL)
Highly soluble
Log S (Ali)
1.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.64
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (97.4%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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