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CAS 166410-34-0 FMOC-NH(CH2)3NH2 HCL molecular structure lightbox
CAS RN: 166410-34-0

FMOC-NH(CH2)3NH2 HCL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS166410-34-0
  • Purity/Analytical Methods: >99.0%
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166410-34-0 / 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate

Standard CAS: 166410-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166410-34-0
Multi CAS
No
Molecular Formula
C18H20N2O2
Molecular Weight
296.400000
Exact Mass
296.152478
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCN
InChI
InChI=1S/C18H20N2O2/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,19H2,(H,20,21)
InChIKey
LRAMQBKQEYONOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.74
TPSA
64.35

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
2.5
Consensus LogP
2.64
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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