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CAS 969-33-5 CYPROHEPTADINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 969-33-5

CYPROHEPTADINE HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250626 500mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS969-33-5
  • Purity/Analytical Methods: >99.0%
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969-33-5 / 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;hydrochloride

Standard CAS: 969-33-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
969-33-5
Multi CAS
Yes
Molecular Formula
C21H22CLN
Molecular Weight
323.900000
Exact Mass
323.144077
InChI
InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H
InChIKey
ZPMVNZLARAEGHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
H-bond acceptors
1
H-bond donors
1
Molar refractivity
101.81
TPSA
3.24

LogP / Solubility

WLOGP
5.12
MLOGP
4.52
XLogP3
5.12
Consensus LogP
4.92
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
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
No
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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