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CAS 1032350-13-2 MK-2206 2HCl molecular structure lightbox
CAS RN: 1032350-13-2

MK-2206 2HCl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 10mg / 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-004662
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1032350-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1032350-13-2 / 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochloride

MK-2206 dihydrochloride | UNII-Q34I3E28IO | Q34I3E28IO

Standard CAS: 1032350-13-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1032350-13-2
Multi CAS
Yes
Molecular Formula
C25H23Cl2N5O
Molecular Weight
480.400000
Exact Mass
479.127966
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl
InChI
InChI=1S/C25H21N5O.2ClH/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31;;/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31);2*1H
InChIKey
HWUHTJIKQZZBRA-UHFFFAOYSA-N
Synonyms
MK-2206 dihydrochloride UNII-Q34I3E28IO Q34I3E28IO 1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-, hydrochloride (1:2) RefChem:201791

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
25
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
136.2
TPSA
89.07

LogP / Solubility

WLOGP
5.09
MLOGP
4.51
XLogP3
5.09
Consensus LogP
4.9
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.36
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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