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CAS 147900-41-2 2-amino-2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)acetic acid hydrochloride(WXC04701) molecular structure lightbox
CAS RN: 147900-41-2

2-amino-2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)acetic acid hydrochloride(WXC04701)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS147900-41-2
  • Purity/Analytical Methods: >99.0%
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147900-41-2 / 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid;hydrochloride

Standard CAS: 147900-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147900-41-2
Multi CAS
No
Molecular Formula
C17H18ClNO2
Molecular Weight
303.800000
Exact Mass
303.102607
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(C(=O)O)N.Cl
InChI
InChI=1S/C17H17NO2.ClH/c18-16(17(19)20)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;/h1-8,15-16H,9-10,18H2,(H,19,20);1H
InChIKey
YVSJKKWERAGVDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.99
TPSA
63.32

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.62

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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