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CAS 1050480-30-2 PhiKan 083 hydrochloride molecular structure lightbox
CAS RN: 1050480-30-2

PhiKan 083 hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1050480-30-2
  • Purity/Analytical Methods: >99.0%
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1050480-30-2 / 1-(9-ethylcarbazol-3-yl)-N-methylmethanamine;hydrochloride

PhiKan083 hydrochloride | RefChem:861858 | 110-915-8

Standard CAS: 1050480-30-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1050480-30-2
Multi CAS
No
Molecular Formula
C16H19ClN2
Molecular Weight
274.790000
Exact Mass
274.123676
SMILES
CCN1C2=C(C=C(C=C2)CNC)C3=CC=CC=C31.Cl
InChI
InChI=1S/C16H18N2.ClH/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18;/h4-10,17H,3,11H2,1-2H3;1H
InChIKey
IXWVUPURFWFRNE-UHFFFAOYSA-N
Synonyms
PhiKan083 hydrochloride RefChem:861858 110-915-8 PhiKan 083 hydrochloride 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.13
TPSA
16.96

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.96
Consensus LogP
3.8
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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