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CAS 91012-53-2 (N-METHOXY-N-METHYLCARBAMOYLMETHYL)PHENOXYMETHANE molecular structure lightbox
CAS RN: 91012-53-2

(N-METHOXY-N-METHYLCARBAMOYLMETHYL)PHENOXYMETHANE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS91012-53-2
  • Purity/Analytical Methods: >99.0%
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91012-53-2 / N-methoxy-N-methyl-2-phenoxyacetamide

Standard CAS: 91012-53-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91012-53-2
Multi CAS
Yes
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
InChI
InChI=1S/C10H13NO3/c1-11(13-2)10(12)8-14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
FMSAFEIBRFIVHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
51.72
TPSA
38.77

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
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)
-3.14

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
1.5

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