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CAS 19206-51-0 2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95 molecular structure lightbox
CAS RN: 19206-51-0

2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260601 100mg In stock Shanghai Inquiry
Batchno.20260227 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260329 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260519 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260322 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19206-51-0
  • Purity/Analytical Methods: >99.0%
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19206-51-0 / 1-hydroxy-3,4-dihydro-2,1-benzoxaborinine

Standard CAS: 19206-51-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19206-51-0
Multi CAS
No
Molecular Formula
C8H9BO2
Molecular Weight
147.970000
Exact Mass
148.069560
SMILES
B1(C2=CC=CC=C2CCO1)O
InChI
InChI=1S/C8H9BO2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4,10H,5-6H2
InChIKey
CKEWCFGVNDVQSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.7
TPSA
29.46

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-3.66

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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