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CAS 147900-32-1 ethyl 2-amino-2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)acetate hydrochloride molecular structure lightbox
CAS RN: 147900-32-1

ethyl 2-amino-2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)acetate hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS147900-32-1
  • Purity/Analytical Methods: >99.0%
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147900-32-1 / ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride

Standard CAS: 147900-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147900-32-1
Multi CAS
No
Molecular Formula
C19H22ClNO2
Molecular Weight
331.800000
Exact Mass
331.133907
SMILES
CCOC(=O)C(C1C2=CC=CC=C2CCC3=CC=CC=C13)N.Cl
InChI
InChI=1S/C19H21NO2.ClH/c1-2-22-19(21)18(20)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17;/h3-10,17-18H,2,11-12,20H2,1H3;1H
InChIKey
WELOUMPFJZYDFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.99
TPSA
52.32

LogP / Solubility

WLOGP
3.23
MLOGP
2.86
XLogP3
3.23
Consensus LogP
3.11
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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