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CAS 1423018-12-5 LY-2922470 molecular structure lightbox
CAS RN: 1423018-12-5

LY-2922470

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1423018-12-5
  • Purity/Analytical Methods: >99.0%
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1423018-12-5 / (3S)-3-[4-[[5-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid

Standard CAS: 1423018-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1423018-12-5
Multi CAS
No
Molecular Formula
C28H29NO4S
Molecular Weight
475.600000
Exact Mass
475.181730
SMILES
CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCCC4=C3C(=CC=C4)OC
InChI
InChI=1S/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1
InChIKey
VJVDLRVFJTVWEO-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
135.9
TPSA
59

LogP / Solubility

WLOGP
5.87
MLOGP
5.2
XLogP3
5.5
Consensus LogP
5.52
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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