CAS RN: 1421262-24-9

Cyclopentanecarboxamide, 1-amino-N-(diphenylmethyl)-

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Batchno.20250924 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1421262-24-9
  • Purity/Analytical Methods: >99.0%
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1421262-24-9 / 1-amino-N-benzhydrylcyclopentane-1-carboxamide

Standard CAS: 1421262-24-9 Multi CAS: No

Basic Information

CAS
1421262-24-9
Multi CAS
No
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
SMILES
C1CCC(C1)(C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C19H22N2O/c20-19(13-7-8-14-19)18(22)21-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14,20H2,(H,21,22)
InChIKey
FXQKMNIGLIWUBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.26
TPSA
55.12

LogP / Solubility

WLOGP
3.16
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.95
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly 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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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