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CAS 132195-65-4 BMY-43748 molecular structure lightbox
CAS RN: 132195-65-4

BMY-43748

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS132195-65-4
  • Purity/Analytical Methods: >99.0%
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132195-65-4 / 7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

Standard CAS: 132195-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132195-65-4
Multi CAS
No
Molecular Formula
C20H17F3N4O3
Molecular Weight
418.400000
Exact Mass
418.125275
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4=C(C=C(C=C4)F)F)C(=O)O
InChI
InChI=1S/C20H17F3N4O3/c1-9-15-17(28)12(20(29)30)8-27(14-3-2-10(21)6-13(14)22)18(15)25-19(16(9)23)26-5-4-11(24)7-26/h2-3,6,8,11H,4-5,7,24H2,1H3,(H,29,30)/t11-/m0/s1
InChIKey
SKYPQEVVXGJKIJ-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.72
TPSA
101.45

LogP / Solubility

WLOGP
2.35
MLOGP
2.09
XLogP3
0.7
Consensus LogP
1.71
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

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

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