[email protected]
CAS 124883-10-9 2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4=ethenylphenol molecular structure lightbox
CAS RN: 124883-10-9

2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4=ethenylphenol

  • Product code: SSC-029188
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 124883-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

124883-10-9 / 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-ethenylphenol

Standard CAS: 124883-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124883-10-9
Multi CAS
No
Molecular Formula
C18H18ClN3O
Molecular Weight
327.800000
Exact Mass
327.113840
SMILES
CC(C)(C)C1=C(C(=CC(=C1)C=C)N2N=C3C=CC(=CC3=N2)Cl)O
InChI
InChI=1S/C18H18ClN3O/c1-5-11-8-13(18(2,3)4)17(23)16(9-11)22-20-14-7-6-12(19)10-15(14)21-22/h5-10,23H,1H2,2-4H3
InChIKey
UNWOQCDCGCSPSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.33
TPSA
50.94

LogP / Solubility

WLOGP
4.72
MLOGP
4.17
XLogP3
6
Consensus LogP
4.96
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us