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CAS 13299-99-5 MAT2A inhibitor 1 molecular structure lightbox
CAS RN: 13299-99-5

MAT2A inhibitor 1

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7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 1mg / 10mg / 50mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 100mg Out of stock Inquiry
Batchno.20250330 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20251014 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260329 250mg Out of stock Inquiry
Batchno.20251025 50mg Out of stock Inquiry
Batchno.20250507 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS13299-99-5
  • Purity/Analytical Methods: >99.0%
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13299-99-5 / 6-(3-methoxyphenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride

Standard CAS: 13299-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13299-99-5
Multi CAS
No
Molecular Formula
C18H24ClN3O3
Molecular Weight
365.900000
Exact Mass
365.150619
SMILES
CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC(=CC=C3)OC.Cl
InChI
InChI=1S/C18H23N3O3.ClH/c1-14-12-17(15-4-3-5-16(13-15)23-2)19-21(18(14)22)7-6-20-8-10-24-11-9-20;/h3-5,12-13H,6-11H2,1-2H3;1H
InChIKey
REOUTEBTFSILJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.73
TPSA
56.59

LogP / Solubility

WLOGP
1.98
MLOGP
1.76
XLogP3
1.98
Consensus LogP
1.91
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

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

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