[email protected]
CAS 15805-13-7 5,5′-Bi-1H-benzotriazole (8CI,9CI) molecular structure lightbox
CAS RN: 15805-13-7

5,5′-Bi-1H-benzotriazole (8CI,9CI)

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 1g In stock Shanghai, Shandong Inquiry
Batchno.20250716 250mg In stock Shandong Inquiry
Batchno.20260616 25g Out of stock 5-7 business days Inquiry
Batchno.20250117 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS15805-13-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

15805-13-7 / 5-(2H-benzotriazol-5-yl)-2H-benzotriazole

Standard CAS: 15805-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15805-13-7
Multi CAS
No
Molecular Formula
C12H8N6
Molecular Weight
236.230000
Exact Mass
236.081044
SMILES
C1=CC2=NNN=C2C=C1C3=CC4=NNN=C4C=C3
InChI
InChI=1S/C12H8N6/c1-3-9-11(15-17-13-9)5-7(1)8-2-4-10-12(6-8)16-18-14-10/h1-6H,(H,13,15,17)(H,14,16,18)
InChIKey
BVXFFUYUZOVQFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.77
TPSA
83.14

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us