[email protected]
CAS 1257633-69-4 2-(4-((bis(1-tert-butyl-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)-ethanol molecular structure lightbox
CAS RN: 1257633-69-4

2-(4-((bis(1-tert-butyl-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)-ethanol

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250311 100mg Out of stock Inquiry
Batchno.20260122 250mg Out of stock Inquiry
  • Product code: starshine_CAS1257633-69-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1257633-69-4 / 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol

Standard CAS: 1257633-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1257633-69-4
Multi CAS
No
Molecular Formula
C19H32N10O
Molecular Weight
416.500000
Exact Mass
416.276056
SMILES
CC(C)(C)N1C=C(N=N1)CN(CC2=CN(N=N2)CCO)CC3=CN(N=N3)C(C)(C)C
InChI
InChI=1S/C19H32N10O/c1-18(2,3)28-13-16(21-24-28)10-26(9-15-12-27(7-8-30)23-20-15)11-17-14-29(25-22-17)19(4,5)6/h12-14,30H,7-11H2,1-6H3
InChIKey
XBVKUBCNAWDEHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.68
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
110.09
TPSA
115.6

LogP / Solubility

WLOGP
1.17
MLOGP
1.05
XLogP3
-0.8
Consensus LogP
0.47
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us