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CAS 59263-76-2 Meptazinol hydrochloride molecular structure lightbox
CAS RN: 59263-76-2

Meptazinol hydrochloride

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250726 10mg Out of stock Inquiry
Batchno.20250331 250mg Out of stock Inquiry
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  • Product code: starshine_CAS59263-76-2
  • Purity/Analytical Methods: >99.0%
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59263-76-2 / 3-(3-ethyl-1-methylazepan-3-yl)phenol;hydrochloride

Standard CAS: 59263-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59263-76-2
Multi CAS
Yes
Molecular Formula
C15H24CLNO
Molecular Weight
269.810000
Exact Mass
269.154642
InChI
InChI=1S/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H
InChIKey
MPJUSISYVXABBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.67
TPSA
23.47

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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