![CAS 1012343-93-9 4-[[[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1012343-93-9.gif)
CAS RN: 1012343-93-9
4-[[[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1012343-93-9
- Purity/Analytical Methods: >99.0%
1012343-93-9 / 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
IRAK inhibitor 3 | 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide | C21H21N5O4S
Basic Information
CAS
1012343-93-9
Multi CAS
No
Molecular Formula
C21H21N5O4S
Molecular Weight
439.500000
Exact Mass
439.131425
SMILES
COC1=C(C=C(C=C1)C2=CN=C3N2N=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)N)OC
InChI
InChI=1S/C21H21N5O4S/c1-29-18-8-5-15(11-19(18)30-2)17-13-24-21-10-9-20(25-26(17)21)23-12-14-3-6-16(7-4-14)31(22,27)28/h3-11,13H,12H2,1-2H3,(H,23,25)(H2,22,27,28)
InChIKey
UPFVAHVWLNBVSG-UHFFFAOYSA-N
Synonyms
IRAK inhibitor 3
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
C21H21N5O4S
4-(((3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)benzenesulfonamide
orb1709401
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
116.67
TPSA
120.84
LogP / Solubility
WLOGP
2.67
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.45
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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