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CAS 537034-15-4 N-(2-Aminophenyl)-N’-phenylheptanediamide molecular structure lightbox
CAS RN: 537034-15-4

N-(2-Aminophenyl)-N’-phenylheptanediamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS537034-15-4
  • Purity/Analytical Methods: >99.0%
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537034-15-4 / N'-(2-aminophenyl)-N-phenylheptanediamide

Standard CAS: 537034-15-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
537034-15-4
Multi CAS
Yes
Molecular Formula
C19H23N3O2
Molecular Weight
325.400000
Exact Mass
325.179027
InChI
InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
InChIKey
ZAIULUYKQLVQFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
97.64
TPSA
84.22

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
2.4
Consensus LogP
3.19
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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