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CAS 15805-10-4 5,5′-methylenebis(1H-benzotriazole) molecular structure lightbox
CAS RN: 15805-10-4

5,5′-methylenebis(1H-benzotriazole)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-066665
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15805-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

15805-10-4 / 5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole

Standard CAS: 15805-10-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15805-10-4
Multi CAS
No
Molecular Formula
C13H10N6
Molecular Weight
250.260000
Exact Mass
250.096694
SMILES
C1=CC2=NNN=C2C=C1CC3=CC4=NNN=C4C=C3
InChI
InChI=1S/C13H10N6/c1-3-10-12(16-18-14-10)6-8(1)5-9-2-4-11-13(7-9)17-19-15-11/h1-4,6-7H,5H2,(H,14,16,18)(H,15,17,19)
InChIKey
IWASLBFJTMJYHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.58
TPSA
83.14

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
2
Consensus LogP
1.81
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H226 (15.6%): Flammable liquid and vapor [Warning Flammable liquids] H228 (84.4%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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