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CAS 633-02-3 4,4′-((4-Aminophenyl)methylene)bis(N,N-dimethylaniline) molecular structure lightbox
CAS RN: 633-02-3

4,4′-((4-Aminophenyl)methylene)bis(N,N-dimethylaniline)

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260614 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
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633-02-3 / 4-[bis[4-(dimethylamino)phenyl]methyl]aniline

4,4'-((4-aminophenyl)methylene)bis(N,N-dimethylaniline) | MFCD01851480 | 4-[bis[4-(dimethylamino)phenyl]methyl]aniline

Standard CAS: 633-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
633-02-3
Multi CAS
No
Molecular Formula
C23H27N3
Molecular Weight
345.500000
Exact Mass
345.220498
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C23H27N3/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24)12-6-17)19-9-15-22(16-10-19)26(3)4/h5-16,23H,24H2,1-4H3
InChIKey
TVAAWIWWRZDCBU-UHFFFAOYSA-N
Synonyms
4,4'-((4-aminophenyl)methylene)bis(N,N-dimethylaniline) MFCD01851480 4-[bis[4-(dimethylamino)phenyl]methyl]aniline SCHEMBL14046263 C23H27N3

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
113.34
TPSA
32.5

LogP / Solubility

WLOGP
4.58
MLOGP
4.05
XLogP3
4.9
Consensus LogP
4.51
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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