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CAS 69632-32-2 (R)-(-)-N-(3,5-Dinitrobenzoyl)-α-phenylethylamine molecular structure lightbox
CAS RN: 69632-32-2

(R)-(-)-N-(3,5-Dinitrobenzoyl)-α-phenylethylamine

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 1g Out of stock Inquiry
Batchno.20250505 250mg Out of stock Inquiry
Batchno.20250112 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTD1852
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69632-32-2 / 3,5-dinitro-N-(1-phenylethyl)benzamide

Standard CAS: 69632-32-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69632-32-2
Multi CAS
Yes
Molecular Formula
C15H13N3O5
Molecular Weight
315.280000
Exact Mass
315.085521
InChI
InChI=1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)
InChIKey
ABEVDCGKLRIYRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.07
TPSA
115.38

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

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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