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CAS 1196157-65-9 Resorufin-[D6] molecular structure lightbox
CAS RN: 1196157-65-9

Resorufin-[D6]

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1196157-65-9
  • Purity/Analytical Methods: >99.0%
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1196157-65-9 / 1,2,4,6,8,9-hexadeuterio-7-hydroxyphenoxazin-3-one

DTXSID70703031 | 7-Hydroxy(~2~H_6_)-3H-phenoxazin-3-one | RefChem:310805

Standard CAS: 1196157-65-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196157-65-9
Multi CAS
No
Molecular Formula
C12H7NO3
Molecular Weight
219.220000
Exact Mass
219.080254
SMILES
[2H]C1=C(C(=C(C2=C1N=C3C(=C(C(=O)C(=C3O2)[2H])[2H])[2H])[2H])O)[2H]
InChI
InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H/i1D,2D,3D,4D,5D,6D
InChIKey
HSSLDCABUXLXKM-MZWXYZOWSA-N
Synonyms
DTXSID70703031 7-Hydroxy(~2~H_6_)-3H-phenoxazin-3-one RefChem:310805 DTXCID20653779 Resorufin-d6

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.57
TPSA
63.33

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.1
Consensus LogP
1.62
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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