CAS RN: 1158279-20-9

HLCL-61 (hydrochloride)

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  • Product code: starshine_CAS1158279-20-9
  • Purity/Analytical Methods: >99.0%
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1158279-20-9 / 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride

HLCL-61 hydrochloride | HLCL-61 (hydrochloride) | Hlcl-61 HCl

Standard CAS: 1158279-20-9 Multi CAS: No

Basic Information

CAS
1158279-20-9
Multi CAS
No
Molecular Formula
C23H25ClN2O
Molecular Weight
380.900000
Exact Mass
380.165541
SMILES
CCN1C2=C(C=C(C=C2)CNCC3=CC=CC=C3OC)C4=CC=CC=C41.Cl
InChI
InChI=1S/C23H24N2O.ClH/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2;/h4-14,24H,3,15-16H2,1-2H3;1H
InChIKey
XYAVCNMZZKTEGR-UHFFFAOYSA-N
Synonyms
HLCL-61 hydrochloride HLCL-61 (hydrochloride) Hlcl-61 HCl 1-(9-Ethyl-9H-carbazol-3-yl)-N-(2-methoxybenzyl)methanamine hydrochloride 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.9
TPSA
26.19

LogP / Solubility

WLOGP
5.53
MLOGP
4.89
XLogP3
5.53
Consensus LogP
5.32
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
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)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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