CAS RN: 1215566-78-1

MMPIP (hydrochloride)

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6 package records4 with current stock1 grade group
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Batchno.20250722 100mg In stock Shanghai Inquiry
Batchno.20260402 10mg In stock Shanghai Inquiry
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Batchno.20251111 250mg Out of stock Inquiry
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  • Product code: starshine_CAS1215566-78-1
  • Purity/Analytical Methods: >99.0%
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1215566-78-1 / 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride

Standard CAS: 1215566-78-1 Multi CAS: No

Basic Information

CAS
1215566-78-1
Multi CAS
No
Molecular Formula
C19H16ClN3O3
Molecular Weight
369.800000
Exact Mass
369.088019
SMILES
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=C(C=C4)OC.Cl
InChI
InChI=1S/C19H15N3O3.ClH/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13;/h3-11H,1-2H3;1H
InChIKey
HXHQNERSIJXMTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.72
TPSA
70.15

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
3.69
Consensus LogP
3.55
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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