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CAS 1446790-62-0 RO9021 molecular structure lightbox
CAS RN: 1446790-62-0

RO9021

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100mg Out of stock Inquiry
Batchno.20260228 10mg In stock Shanghai Inquiry
Batchno.20250412 250mg Out of stock Inquiry
Batchno.20260527 25mg In stock Shanghai Inquiry
Batchno.20260411 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1446790-62-0
  • Purity/Analytical Methods: >99.0%
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1446790-62-0 / 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide

Standard CAS: 1446790-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446790-62-0
Multi CAS
No
Molecular Formula
C18H25N7O
Molecular Weight
355.400000
Exact Mass
355.212058
SMILES
CC1=C(N=C(C=C1)NC2=CC(=NN=C2C(=O)N)N[C@@H]3CCCC[C@@H]3N)C
InChI
InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKey
XJZVCDVZCRLIKN-QWHCGFSZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
101.4
TPSA
131.84

LogP / Solubility

WLOGP
2.01
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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