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CAS 1213936-15-2 (1S)-1-(2-ANTHRYL)PROPYLAMINE molecular structure lightbox
CAS RN: 1213936-15-2

(1S)-1-(2-ANTHRYL)PROPYLAMINE

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 100mg Out of stock Inquiry
Batchno.20260324 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1213936-15-2
  • Purity/Analytical Methods: >99.0%
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1213936-15-2 / (1S)-1-anthracen-2-ylpropan-1-amine

Standard CAS: 1213936-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1213936-15-2
Multi CAS
No
Molecular Formula
C17H17N
Molecular Weight
235.320000
Exact Mass
235.136100
SMILES
CC[C@@H](C1=CC2=CC3=CC=CC=C3C=C2C=C1)N
InChI
InChI=1S/C17H17N/c1-2-17(18)15-8-7-14-9-12-5-3-4-6-13(12)10-16(14)11-15/h3-11,17H,2,18H2,1H3/t17-/m0/s1
InChIKey
SIQWZKPSJZCHNZ-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
78.67
TPSA
26.02

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
3.9
Consensus LogP
4.06
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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