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CAS 1368347-76-5 Trans-1-Methyloctahydro-1,6-Naphthyridin-2(1H)-One molecular structure lightbox
CAS RN: 1368347-76-5

Trans-1-Methyloctahydro-1,6-Naphthyridin-2(1H)-One

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1368347-76-5
  • Purity/Analytical Methods: >99.0%
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1368347-76-5 / (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one

Standard CAS: 1368347-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368347-76-5
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
SMILES
CN1[C@@H]2CCNC[C@H]2CCC1=O
InChI
InChI=1S/C9H16N2O/c1-11-8-4-5-10-6-7(8)2-3-9(11)12/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey
CXOXGMBPBCDYNB-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.77
TPSA
32.34

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.2
Consensus LogP
0.07
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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