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CAS 351447-07-9 6-IODO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZINE molecular structure lightbox
CAS RN: 351447-07-9

6-IODO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS351447-07-9
  • Purity/Analytical Methods: >99.0%
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351447-07-9 / 6-iodo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

Standard CAS: 351447-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
351447-07-9
Multi CAS
No
Molecular Formula
C7H7In2O
Molecular Weight
262.050000
Exact Mass
261.960310
InChI
InChI=1S/C7H7IN2O/c8-6-2-1-5-7(10-6)9-3-4-11-5/h1-2H,3-4H2,(H,9,10)
InChIKey
LTYFURNXEWAAMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.94
TPSA
34.15

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

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

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