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CAS 75859-03-9 9-[3-(CIS-3,5-DIMETHYL-1-PIPERAZINYL)PROPYL]-9H-CARBAZOLE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 75859-03-9

9-[3-(CIS-3,5-DIMETHYL-1-PIPERAZINYL)PROPYL]-9H-CARBAZOLE DIHYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 10mg / 25mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS75859-03-9
  • Purity/Analytical Methods: >99.0%
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75859-03-9 / 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole;dihydrochloride

Standard CAS: 75859-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75859-03-9
Multi CAS
Yes
Molecular Formula
C21H29CL2N3
Molecular Weight
394.400000
Exact Mass
393.173853
InChI
InChI=1S/C21H27N3.2ClH/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;2*1H/t16-,17+;;
InChIKey
ZWHRZGHGYMUSRM-VWDRLOGHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.06
TPSA
20.2

LogP / Solubility

WLOGP
4.71
MLOGP
4.17
XLogP3
4.71
Consensus LogP
4.53
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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