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CAS 537-12-2 DIPERODON HYDROCHLORIDE molecular structure lightbox
CAS RN: 537-12-2

DIPERODON HYDROCHLORIDE

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100mg In stock Inquiry
Batchno.20250513 250mg In stock Inquiry
Batchno.20260411 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 100mg In stock Shanghai Inquiry
Batchno.20251213 250mg Out of stock Inquiry
Batchno.20251130 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS537-12-2
  • Purity/Analytical Methods: >99.0%
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537-12-2 / [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride

Standard CAS: 537-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
537-12-2
Multi CAS
Yes
Molecular Formula
C22H28CLN3O4
Molecular Weight
433.900000
Exact Mass
433.176834
InChI
InChI=1S/C22H27N3O4.ClH/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H
InChIKey
OWULVAZDMWJBLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.29
TPSA
79.9

LogP / Solubility

WLOGP
4.76
MLOGP
4.22
XLogP3
4.76
Consensus LogP
4.58
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
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)
-1.99

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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