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CAS 7685-88-3 1-Phenyl-3-[(phenylmethyl)amino]-2,5-pyrrolidinedione molecular structure lightbox
CAS RN: 7685-88-3

1-Phenyl-3-[(phenylmethyl)amino]-2,5-pyrrolidinedione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 5mg / 10mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7685-88-3
  • Purity/Analytical Methods: >99.0%
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7685-88-3 / 3-(benzylamino)-1-phenylpyrrolidine-2,5-dione

Standard CAS: 7685-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7685-88-3
Multi CAS
No
Molecular Formula
C17H16N2O2
Molecular Weight
280.320000
Exact Mass
280.121178
InChI
InChI=1S/C17H16N2O2/c20-16-11-15(18-12-13-7-3-1-4-8-13)17(21)19(16)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2
InChIKey
RLYCOAZCWRPZHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.62
TPSA
49.41

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly 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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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