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CAS 1206711-14-9 DMH2 molecular structure lightbox
CAS RN: 1206711-14-9

DMH2

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 5mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1206711-14-9
  • Purity/Analytical Methods: >99.0%
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1206711-14-9 / 4-[2-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine

DMH2 | 4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine | orb1702328

Standard CAS: 1206711-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206711-14-9
Multi CAS
No
Molecular Formula
C27H25N5O2
Molecular Weight
451.500000
Exact Mass
451.200825
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3
InChI
InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2
InChIKey
DXLXRNZCYAYUED-UHFFFAOYSA-N
Synonyms
DMH2 4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine orb1702328 CHEMBL3668018 SCHEMBL14671953

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
25
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
131.91
TPSA
64.78

LogP / Solubility

WLOGP
4.32
MLOGP
3.83
XLogP3
3.5
Consensus LogP
3.88
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

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

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