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CAS 2007908-54-3 N-METHOXY-N-METHYLCHROMAN-2-CARBOXAMIDE molecular structure lightbox
CAS RN: 2007908-54-3

N-METHOXY-N-METHYLCHROMAN-2-CARBOXAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2007908-54-3
  • Purity/Analytical Methods: >99.0%
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2007908-54-3 / N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide

Standard CAS: 2007908-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007908-54-3
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
CN(C(=O)C1CCC2=CC=CC=C2O1)OC
InChI
InChI=1S/C12H15NO3/c1-13(15-2)12(14)11-8-7-9-5-3-4-6-10(9)16-11/h3-6,11H,7-8H2,1-2H3
InChIKey
KXBZCDJGDWILSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.96
TPSA
38.77

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.9
Consensus LogP
1.51
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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