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CAS 1374652-18-2 2-dihydro-2-Methyl-1-oxoisoquinoline-6-carboxylic acid molecular structure lightbox
CAS RN: 1374652-18-2

2-dihydro-2-Methyl-1-oxoisoquinoline-6-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1374652-18-2
  • Purity/Analytical Methods: >99.0%
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1374652-18-2 / 2-methyl-1-oxoisoquinoline-6-carboxylic acid

Standard CAS: 1374652-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374652-18-2
Multi CAS
No
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
SMILES
CN1C=CC2=C(C1=O)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-12-5-4-7-6-8(11(14)15)2-3-9(7)10(12)13/h2-6H,1H3,(H,14,15)
InChIKey
FVMKDCNNTMDWNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.15
TPSA
59.3

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1
Consensus LogP
1.11
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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