[email protected]
CAS 2211181-64-3 IN1371, 2-(2-ethylhexyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole molecular structure lightbox
CAS RN: 2211181-64-3

IN1371, 2-(2-ethylhexyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 100mg Out of stock 8-10 business days Inquiry
Batchno.20260306 100mg Out of stock Inquiry
Batchno.20250321 1g Out of stock Inquiry
Batchno.20260627 250mg Out of stock Inquiry
  • Product code: starshine_CAS2211181-64-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2211181-64-3 / 2-(2-ethylhexyl)-5,6-difluorobenzotriazole

Standard CAS: 2211181-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2211181-64-3
Multi CAS
No
Molecular Formula
C14H19F2N3
Molecular Weight
267.320000
Exact Mass
267.154704
SMILES
CCCCC(CC)CN1N=C2C=C(C(=CC2=N1)F)F
InChI
InChI=1S/C14H19F2N3/c1-3-5-6-10(4-2)9-19-17-13-7-11(15)12(16)8-14(13)18-19/h7-8,10H,3-6,9H2,1-2H3
InChIKey
OYIMIEAGVYOOBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
70.75
TPSA
30.71

LogP / Solubility

WLOGP
3.93
MLOGP
3.46
XLogP3
4.9
Consensus LogP
4.1
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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