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CAS 174634-08-3 TAS 103 molecular structure lightbox
CAS RN: 174634-08-3

TAS 103

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS174634-08-3
  • Purity/Analytical Methods: >99.0%
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174634-08-3 / 6-[2-(dimethylamino)ethylamino]-3-hydroxyindeno[2,1-c]quinolin-7-one

Standard CAS: 174634-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174634-08-3
Multi CAS
No
Molecular Formula
C20H19N3O2
Molecular Weight
333.400000
Exact Mass
333.147727
SMILES
CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43
InChI
InChI=1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)
InChIKey
ROWSTIYZUWEOMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.32
TPSA
65.46

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
3.9
Consensus LogP
3.27
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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