[email protected]
CAS 128119-95-9 6-Cyano-9-(diethylamino)-5H-benzo[a]phenoxazin-5-one molecular structure lightbox
CAS RN: 128119-95-9

6-Cyano-9-(diethylamino)-5H-benzo[a]phenoxazin-5-one

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 50mg In stock Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 1g Out of stock Inquiry
Batchno.20250517 250mg Out of stock Inquiry
  • Product code: ICTC2404
  • Purity/Analytical Methods: >95.0%(HPLC)(N)
GET A QUOTE

128119-95-9 / 9-(diethylamino)-5-oxobenzo[a]phenoxazine-6-carbonitrile

Standard CAS: 128119-95-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
128119-95-9
Multi CAS
No
Molecular Formula
C21H17N3O2
Molecular Weight
343.400000
Exact Mass
343.132077
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C(=C3O2)C#N
InChI
InChI=1S/C21H17N3O2/c1-3-24(4-2)13-9-10-17-18(11-13)26-21-16(12-22)20(25)15-8-6-5-7-14(15)19(21)23-17/h5-11H,3-4H2,1-2H3
InChIKey
DOIVGWIGBQTTHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
102.68
TPSA
70.13

LogP / Solubility

WLOGP
4.16
MLOGP
3.68
XLogP3
3.7
Consensus LogP
3.85
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us