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CAS 92283-88-0 Benzotriazole1.0 molecular structure lightbox
CAS RN: 92283-88-0

Benzotriazole1.0

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS92283-88-0
  • Purity/Analytical Methods: >99.0%
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92283-88-0 / (1R,2S,4S,7R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane

Standard CAS: 92283-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92283-88-0
Multi CAS
Yes
Molecular Formula
C13H14O4
Molecular Weight
234.250000
Exact Mass
234.089209
InChI
InChI=1S/C13H14O4/c1-2-4-8(5-3-1)13-15-6-9-11(17-13)12-10(16-12)7-14-9/h1-5,9-13H,6-7H2/t9-,10+,11-,12+,13-/m1/s1
InChIKey
BYKNJRIVJRIKQC-RXGFPQBGSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.41
TPSA
40.22

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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