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CAS 1443373-17-8 AM-2099 molecular structure lightbox
CAS RN: 1443373-17-8

AM-2099

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Batchno.20251231 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1443373-17-8
  • Purity/Analytical Methods: >99.0%
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1443373-17-8 / 4-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinazoline-7-sulfonamide

Standard CAS: 1443373-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443373-17-8
Multi CAS
No
Molecular Formula
C19H13F3N4O3S2
Molecular Weight
466.500000
Exact Mass
466.038117
SMILES
COC1=C(C=CC(=C1)C(F)(F)F)C2=NC=NC3=C2C=CC(=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)
InChIKey
VSUDRCZPHWUXEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
109.45
TPSA
94.07

LogP / Solubility

WLOGP
4.58
MLOGP
4.06
XLogP3
3.9
Consensus LogP
4.18
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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