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CAS 258-04-8 12H-Benzo[b]phenoxazine molecular structure lightbox
CAS RN: 258-04-8

12H-Benzo[b]phenoxazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS258-04-8
  • Purity/Analytical Methods: >99.0%
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258-04-8 / 12H-benzo[b]phenoxazine

Standard CAS: 258-04-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
258-04-8
Multi CAS
Yes
Molecular Formula
C16H11NO
Molecular Weight
233.260000
Exact Mass
233.084064
InChI
InChI=1S/C16H11NO/c1-2-6-12-10-16-14(9-11(12)5-1)17-13-7-3-4-8-15(13)18-16/h1-10,17H
InChIKey
BDDQPKXDNUKVCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.75
TPSA
21.26

LogP / Solubility

WLOGP
4.69
MLOGP
4.13
XLogP3
5.1
Consensus LogP
4.64
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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