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CAS 321895-93-6 8-(4-Anilino) Bodipy molecular structure lightbox
CAS RN: 321895-93-6

8-(4-Anilino) Bodipy

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2 package records0 with current stock2 grade groups
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Batchno.20250204 1mg Out of stock 15 business days Inquiry
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Batchno.20251203 1mg Out of stock Inquiry
  • Product code: starshine_CAS321895-93-6
  • Purity/Analytical Methods: >99.0%
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321895-93-6 / 4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)aniline

Standard CAS: 321895-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321895-93-6
Multi CAS
No
Molecular Formula
BC19F2H20N3
Molecular Weight
339.200000
Exact Mass
339.171834
InChI
InChI=1S/C19H20BF2N3/c1-11-9-13(3)24-18(11)17(15-5-7-16(23)8-6-15)19-12(2)10-14(4)25(19)20(24,21)22/h5-10H,23H2,1-4H3
InChIKey
ZYJKXDGIHNXYKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
98.85
TPSA
33.96

LogP / Solubility

WLOGP
4.12
MLOGP
3.64
XLogP3
4.12
Consensus LogP
3.96
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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)
-1.87

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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