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CAS 443302-09-8 ZNAF-2F molecular structure lightbox
CAS RN: 443302-09-8

ZNAF-2F

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Batchno.20260206 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS443302-09-8
  • Purity/Analytical Methods: >99.0%
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443302-09-8 / 4-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-2-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Standard CAS: 443302-09-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
443302-09-8
Multi CAS
Yes
Molecular Formula
C34F2H26N4O5
Molecular Weight
608.600000
Exact Mass
608.187126
InChI
InChI=1S/C34H26F2N4O5/c35-27-14-25-31(16-29(27)41)45-32-17-30(42)28(36)15-26(32)33(25)24-13-20(7-8-23(24)34(43)44)39-11-12-40(18-21-5-1-3-9-37-21)19-22-6-2-4-10-38-22/h1-10,13-17,39,41H,11-12,18-19H2,(H,43,44)
InChIKey
HPADXJLXFKDPBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
32
Fraction Csp3
0.12
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
3
Molar refractivity
164.16
TPSA
128.79

LogP / Solubility

WLOGP
6.15
MLOGP
5.46
XLogP3
1.5
Consensus LogP
4.37
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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