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CAS 1151-93-5 METHANONE, [4-(DIMETHYLAMINO)PHENYL](4-METHOXYPHENYL)- molecular structure lightbox
CAS RN: 1151-93-5

METHANONE, [4-(DIMETHYLAMINO)PHENYL](4-METHOXYPHENYL)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1151-93-5
  • Purity/Analytical Methods: >99.0%
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1151-93-5 / [4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanone

(4-(Dimethylamino)phenyl)(4-methoxyphenyl)methanone | Methanone, [4-(dimethylamino)phenyl](4-methoxyphenyl)- | (4-Dimethylamino-phenyl)-(4-methoxy-phenyl)-methanone

Standard CAS: 1151-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1151-93-5
Multi CAS
No
Molecular Formula
C16H17NO2
Molecular Weight
255.310000
Exact Mass
255.125929
SMILES
CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H17NO2/c1-17(2)14-8-4-12(5-9-14)16(18)13-6-10-15(19-3)11-7-13/h4-11H,1-3H3
InChIKey
ARNIZPSLPHFDED-UHFFFAOYSA-N
Synonyms
(4-(Dimethylamino)phenyl)(4-methoxyphenyl)methanone Methanone, [4-(dimethylamino)phenyl](4-methoxyphenyl)- (4-Dimethylamino-phenyl)-(4-methoxy-phenyl)-methanone 4-(4-methoxybenzoyl)-N,N-dimethylaniline [4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanone

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
77.2
TPSA
29.54

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3.7
Consensus LogP
3.11
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

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

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