![CAS 1454808-95-7 tert-Butyl (2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454808-95-7.gif)
CAS RN: 1454808-95-7
tert-Butyl (2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS1454808-95-7
- Purity/Analytical Methods: >99.0%
1454808-95-7 / tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
Basic Information
CAS
1454808-95-7
Multi CAS
No
Molecular Formula
C21H26N6O3
Molecular Weight
410.500000
Exact Mass
410.206639
SMILES
CC(C)(C)OC(=O)N(C)CCNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)N)C=C1
InChI
InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25)
InChIKey
YNQNYIHMAZLJAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
114.29
TPSA
114.85
LogP / Solubility
WLOGP
2.77
MLOGP
2.47
XLogP3
2.1
Consensus LogP
2.45
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25
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
-
![CAS 1454814-05-1 3-BROMO-6-FLUOROIMIDAZO[1,2-B]PYRIDAZINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-BROMO-6-FLUOROIMIDAZO[1,2-B]PYRIDAZINE
- CAS RN: 1454814-05-1
- Product Code: starshine_CAS1454814-05-1
- Purity/Analytical method: >99.0%
-
4-(5-Oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylboronic Acid Pinacol Ester
- CAS RN: 1454814-36-8
- Product Code: SSC-056797
-
N-Fmoc-3-(2-propyn-1-yloxy)-L-phenylalanine
- CAS RN: 1454817-57-2
- Product Code: starshine_CAS1454817-57-2
- Purity/Analytical method: >99.0%
-
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester
- CAS RN: 1454843-77-6
- Product Code: SSC-056799
-
(R)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID
- CAS RN: 1454843-78-7
- Product Code: SSC-056800
-
Lorlatinib (PF-06463922)
- CAS RN: 1454846-35-5
- Product Code: starshine_CAS1454846-35-5
- Purity/Analytical method: >99.0%
![CAS 1454814-05-1 3-BROMO-6-FLUOROIMIDAZO[1,2-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB54001204(1).gif)
![CAS 1454843-77-6 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454843-77-6.gif)
![CAS 1454843-78-7 (R)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454843-78-7.gif)
