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CAS 315-72-0 OPIPRAMOL molecular structure lightbox
CAS RN: 315-72-0

OPIPRAMOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS315-72-0
  • Purity/Analytical Methods: >99.0%
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315-72-0 / 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol

Standard CAS: 315-72-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
315-72-0
Multi CAS
Yes
Molecular Formula
C23H29N3O
Molecular Weight
363.500000
Exact Mass
363.231063
InChI
InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
InChIKey
YNZFUWZUGRBMHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
113.4
TPSA
29.95

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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