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CAS 53567-47-8 Tiropramide Hydrochloride molecular structure lightbox
CAS RN: 53567-47-8

Tiropramide Hydrochloride

  • Product code: SSC-160922
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 53567-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

53567-47-8 / N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;hydrochloride

Standard CAS: 53567-47-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53567-47-8
Multi CAS
Yes
Molecular Formula
C28H42CLN3O3
Molecular Weight
504.100000
Exact Mass
503.291470
InChI
InChI=1S/C28H41N3O3.ClH/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4;/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32);1H
InChIKey
SVCQSEFEZWMYSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
4
H-bond donors
1
Molar refractivity
145.54
TPSA
61.88

LogP / Solubility

WLOGP
4.82
MLOGP
4.28
XLogP3
4.82
Consensus LogP
4.64
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

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