![CAS 1254036-66-2 MethanesulfonaMide, N-[5-[4-[5-[[(2R,6S)-2,6-diMethyl-4-Morpholinyl]Methyl]-2-oxazolyl]-1H-indazol-6-yl]-2-Methoxy-3-pyridinyl]-, rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254036-66-2.gif)
CAS RN: 1254036-66-2
MethanesulfonaMide, N-[5-[4-[5-[[(2R,6S)-2,6-diMethyl-4-Morpholinyl]Methyl]-2-oxazolyl]-1H-indazol-6-yl]-2-Methoxy-3-pyridinyl]-, rel-
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS1254036-66-2
- Purity/Analytical Methods: >99.0%
1254036-66-2 / N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
Basic Information
CAS
1254036-66-2
Multi CAS
No
Molecular Formula
C24H28N6O5S
Molecular Weight
512.600000
Exact Mass
512.184189
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=CC(=C(N=C5)OC)NS(=O)(=O)C
InChI
InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+
InChIKey
NLUPPCTVKHDVIQ-GASCZTMLSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
20
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
2
Molar refractivity
135.13
TPSA
135.47
LogP / Solubility
WLOGP
3.27
MLOGP
2.91
XLogP3
1.8
Consensus LogP
2.66
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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