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CAS 27225-84-9 2-Chloro-10-methyl-3,4-diazaphenoxazine molecular structure lightbox
CAS RN: 27225-84-9

2-Chloro-10-methyl-3,4-diazaphenoxazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS27225-84-9
  • Purity/Analytical Methods: >99.0%
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27225-84-9 / 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine

Standard CAS: 27225-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27225-84-9
Multi CAS
No
Molecular Formula
C11H8ClN3O
Molecular Weight
233.650000
Exact Mass
233.035590
SMILES
CN1C2=CC=CC=C2OC3=NN=C(C=C31)Cl
InChI
InChI=1S/C11H8ClN3O/c1-15-7-4-2-3-5-9(7)16-11-8(15)6-10(12)13-14-11/h2-6H,1H3
InChIKey
MLCQNZQXVSPVEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.09
H-bond acceptors
4
Molar refractivity
61.62
TPSA
38.25

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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