CAS RN: 1572037-13-8

N-benzylpentadecanamide

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7 package records0 with current stock2 grade groups
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Batchno.20250527 20mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS1572037-13-8
  • Purity/Analytical Methods: >99.0%
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1572037-13-8 / N-benzylpentadecanamide

Standard CAS: 1572037-13-8 Multi CAS: No

Basic Information

CAS
1572037-13-8
Multi CAS
No
Molecular Formula
C22H37NO
Molecular Weight
331.500000
Exact Mass
331.287515
SMILES
CCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)23-20-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3,(H,23,24)
InChIKey
CBYQHFBHSMAGBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
103.98
TPSA
29.1

LogP / Solubility

WLOGP
6.39
MLOGP
5.64
XLogP3
7.8
Consensus LogP
6.61
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.2

Drug-likeness / Medicinal Chemistry

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

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