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CAS 302-33-0 Proadifen molecular structure lightbox
CAS RN: 302-33-0

Proadifen

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 10mg In stock Inquiry
Batchno.20250421 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 10mg / 25mg / 50mg / 250mg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: LINP924441
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302-33-0 / 2-(diethylamino)ethyl 2,2-diphenylpentanoate

Standard CAS: 302-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302-33-0
Multi CAS
No
Molecular Formula
C23H31NO2
Molecular Weight
353.500000
Exact Mass
353.235479
InChI
InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
InChIKey
SNTQPLDRUZOSDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
107.32
TPSA
29.54

LogP / Solubility

WLOGP
4.66
MLOGP
4.12
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.02
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
Yes
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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