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CAS 1430634-87-9 SDB-006 N-phenyl analog molecular structure lightbox
CAS RN: 1430634-87-9

SDB-006 N-phenyl analog

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1430634-87-9
  • Purity/Analytical Methods: >99.0%
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1430634-87-9 / 1-pentyl-N-phenylindole-3-carboxamide

Standard CAS: 1430634-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1430634-87-9
Multi CAS
No
Molecular Formula
C20H22N2O
Molecular Weight
306.400000
Exact Mass
306.173213
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-2-3-9-14-22-15-18(17-12-7-8-13-19(17)22)20(23)21-16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,23)
InChIKey
SPUQBSMPSCYQLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.86
TPSA
34.03

LogP / Solubility

WLOGP
5.08
MLOGP
4.49
XLogP3
4.6
Consensus LogP
4.72
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.98

Drug-likeness / Medicinal Chemistry

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

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