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CAS 2876-17-7 1-Methoxyphenazine molecular structure lightbox
CAS RN: 2876-17-7

1-Methoxyphenazine

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 100mg In stock Shanghai Inquiry
Batchno.20250123 1g In stock Shanghai Inquiry
Batchno.20250127 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTM1828
  • Purity/Analytical Methods: >97.0%(GC)(T)
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2876-17-7 / 1-methoxyphenazine

Standard CAS: 2876-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2876-17-7
Multi CAS
No
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
SMILES
COC1=CC=CC2=NC3=CC=CC=C3N=C21
InChI
InChI=1S/C13H10N2O/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11/h2-8H,1H3
InChIKey
ZYDGCYWJDWIJCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
63.6
TPSA
35.01

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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