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CAS 175609-19-5 2,1,3-BENZOXADIAZOL-4-YLMETHANOL molecular structure lightbox
CAS RN: 175609-19-5

2,1,3-BENZOXADIAZOL-4-YLMETHANOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251104 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS175609-19-5
  • Purity/Analytical Methods: >99.0%
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175609-19-5 / 2,1,3-benzoxadiazol-4-ylmethanol

Standard CAS: 175609-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175609-19-5
Multi CAS
No
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
SMILES
C1=CC2=NON=C2C(=C1)CO
InChI
InChI=1S/C7H6N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-3,10H,4H2
InChIKey
OKDMFOBEJCALFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.73
TPSA
59.15

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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