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CAS 188712-75-6 2-hydroxy nile red molecular structure lightbox
CAS RN: 188712-75-6

2-hydroxy nile red

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 100mg Out of stock Inquiry
Batchno.20250807 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251008 1g In stock Shenzhen Inquiry
Batchno.20260126 250mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS188712-75-6
  • Purity/Analytical Methods: >99.0%
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188712-75-6 / 9-(diethylamino)-5-hydroxybenzo[a]phenoxazin-2-one

Standard CAS: 188712-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188712-75-6
Multi CAS
No
Molecular Formula
C20H18N2O3
Molecular Weight
334.400000
Exact Mass
334.131742
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC(=O)C=CC4=C(C=C3O2)O
InChI
InChI=1S/C20H18N2O3/c1-3-22(4-2)12-5-8-16-18(9-12)25-19-11-17(24)14-7-6-13(23)10-15(14)20(19)21-16/h5-11,24H,3-4H2,1-2H3
InChIKey
XVNZDFMVUIGZQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.52
TPSA
66.57

LogP / Solubility

WLOGP
4.05
MLOGP
3.58
XLogP3
2.5
Consensus LogP
3.38
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
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)
-1.89

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

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