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CAS 500015-20-3 2-((3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)amino)-2-(hydroxymethyl)propane-1,3-diol molecular structure lightbox
CAS RN: 500015-20-3

2-((3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)amino)-2-(hydroxymethyl)propane-1,3-diol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS500015-20-3
  • Purity/Analytical Methods: >99.0%
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500015-20-3 / 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol

Standard CAS: 500015-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500015-20-3
Multi CAS
Yes
Molecular Formula
C19H22CL2N2O4
Molecular Weight
413.300000
Exact Mass
412.095663
InChI
InChI=1S/C19H22Cl2N2O4/c20-12-1-3-17-15(5-12)16-6-13(21)2-4-18(16)23(17)8-14(27)7-22-19(9-24,10-25)11-26/h1-6,14,22,24-27H,7-11H2
InChIKey
GETQKLUOZMYHGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
5
Molar refractivity
107.46
TPSA
97.88

LogP / Solubility

WLOGP
1.77
MLOGP
1.58
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99

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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