CAS RN: 1139884-47-1
(9H-Fluoren-9-yl)methyl (4-(aminomethyl)phenyl)carbamate hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260303 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1139884-47-1
- Purity/Analytical Methods: >99.0%
1139884-47-1 / 9H-fluoren-9-ylmethyl N-[4-(aminomethyl)phenyl]carbamate;hydrochloride
(9H-Fluoren-9-yl)methyl (4-(aminomethyl)phenyl)carbamate hydrochloride | AKOS024260962 | CS-0441054
Basic Information
CAS
1139884-47-1
Multi CAS
Yes
Molecular Formula
C22H21ClN2O2
Molecular Weight
380.900000
Exact Mass
380.129156
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)CN.Cl
InChI
InChI=1S/C22H20N2O2.ClH/c23-13-15-9-11-16(12-10-15)24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;/h1-12,21H,13-14,23H2,(H,24,25);1H
InChIKey
XSQTWCPSSZZUPR-UHFFFAOYSA-N
Synonyms
(9H-Fluoren-9-yl)methyl (4-(aminomethyl)phenyl)carbamate hydrochloride
AKOS024260962
CS-0441054
H64865
(9H-Fluoren-9-yl)methyl(4-(aminomethyl)phenyl)carbamatehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
110.27
TPSA
64.35
LogP / Solubility
WLOGP
4.93
MLOGP
4.36
XLogP3
4.93
Consensus LogP
4.74
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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