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CAS 118119-32-7 FMOC-NH(CH2)5NH2 HCL molecular structure lightbox
CAS RN: 118119-32-7

FMOC-NH(CH2)5NH2 HCL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 1g In stock Inquiry
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Batchno.20260612 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS118119-32-7
  • Purity/Analytical Methods: >99.0%
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118119-32-7 / 9H-fluoren-9-ylmethyl N-(5-aminopentyl)carbamate;hydrochloride

Fmoc-NH(CH2)5NH2 HCl | Fmoc-Dape HCl | (9H-Fluoren-9-yl)methyl (5-aminopentyl)carbamate

Standard CAS: 118119-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118119-32-7
Multi CAS
Yes
Molecular Formula
C20H25ClN2O2
Molecular Weight
360.900000
Exact Mass
360.160456
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCN.Cl
InChI
InChI=1S/C20H24N2O2.ClH/c21-12-6-1-7-13-22-20(23)24-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19;/h2-5,8-11,19H,1,6-7,12-14,21H2,(H,22,23);1H
InChIKey
MYVDRDMFYHOZBJ-UHFFFAOYSA-N
Synonyms
Fmoc-NH(CH2)5NH2 HCl Fmoc-Dape HCl (9H-Fluoren-9-yl)methyl (5-aminopentyl)carbamate 9H-fluoren-9-ylmethyl N-(5-aminopentyl)carbamate SCHEMBL15155687

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
103.23
TPSA
64.35

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
4.08
Consensus LogP
3.92
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
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
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

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