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CAS 361185-42-4 6-amino-4-(2,5-dimethoxyphenyl)-1,4-dihydro-3-(2-naphthalenyl)-pyrano[2,3-c]pyrazole-5-carbonitrile molecular structure lightbox
CAS RN: 361185-42-4

6-amino-4-(2,5-dimethoxyphenyl)-1,4-dihydro-3-(2-naphthalenyl)-pyrano[2,3-c]pyrazole-5-carbonitrile

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 100mg Out of stock Inquiry
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Batchno.20251014 250mg Out of stock Inquiry
Batchno.20250718 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS361185-42-4
  • Purity/Analytical Methods: >99.0%
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361185-42-4 / 6-amino-4-(2,5-dimethoxyphenyl)-3-naphthalen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Standard CAS: 361185-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
361185-42-4
Multi CAS
Yes
Molecular Formula
C25H20N4O3
Molecular Weight
424.500000
Exact Mass
424.153541
InChI
InChI=1S/C25H20N4O3/c1-30-17-9-10-20(31-2)18(12-17)21-19(13-26)24(27)32-25-22(21)23(28-29-25)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,21H,27H2,1-2H3,(H,28,29)
InChIKey
CLMQBVUFKIKYLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.37
TPSA
106.18

LogP / Solubility

WLOGP
4.47
MLOGP
3.96
XLogP3
4.8
Consensus LogP
4.41
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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