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CAS 68162-52-7 Drobuline (hydrochloride) molecular structure lightbox
CAS RN: 68162-52-7

Drobuline (hydrochloride)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS68162-52-7
  • Purity/Analytical Methods: >99.0%
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68162-52-7 / 4,4-diphenyl-1-(propan-2-ylamino)butan-2-ol;hydrochloride

Standard CAS: 68162-52-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68162-52-7
Multi CAS
Yes
Molecular Formula
C19H26CLNO
Molecular Weight
319.900000
Exact Mass
319.170292
InChI
InChI=1S/C19H25NO.ClH/c1-15(2)20-14-18(21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,15,18-21H,13-14H2,1-2H3;1H
InChIKey
YKYKDSHUKOVMBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.74
TPSA
32.26

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
3.99
Consensus LogP
3.83
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

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)
-1.84

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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